9-epi-beta-caryophyllene
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IUPAC Name :(1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
InChI :InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1
Std.InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1
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InChIKey :NPNUFJAVOOONJE-QWAJQTJBBW
Std.InChIKey: NPNUFJAVOOONJE-QWAJQTJBSA-N
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SMILES :C=C2CCC=C(C)CC[C@@H]1[C@H]2CC1(C)C
Molar Refractivity :66.59 ± 0.4 cm3 (est)
Parachor :533.3 ± 6.0 cm3 (est)
Index of Refraction :1.494 ± 0.03 (est)
Surface Tension :29.7 ± 5.0 dyne/cm (est)
Density :0.89 ± 0.1 g/cm3 (est)
Polarizability :26.40 ± 0.5 10-24cm3 (est)