For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Phenanthrenecarboxylic acid, 9-bromo-1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID 2p5d8LKD11f
InChI InChI=1S/C21H25BrO2/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-12,18H,1,6,9-10H2,2-5H3/t18-,20-,21-/m1/s1
InChIKey CEFUXDBUQNENPH-HMXCVIKNSA-N
Mol Weight 389.33 g/mol
Molecular Formula C21H25BrO2
Exact Mass 388.103793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 47vgYDBFv5c
Name 1-Phenanthrenecarboxylic acid, 9-bromo-1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 90164-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BrO2
InChI InChI=1S/C21H25BrO2/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-12,18H,1,6,9-10H2,2-5H3/t18-,20-,21-/m1/s1
InChIKey CEFUXDBUQNENPH-HMXCVIKNSA-N
Molecular Weight 389.333 g/mol
SMILES [C@]12([C@@](c3ccc(cc3C(=C2)Br)C(=C)C)(CCC[C@]1(C(=O)OC)C)C)[H]
SPLASH splash10-014l-9001000000-1e5671e6ae3ed2772c23
Source of Spectrum AH-114-1264-0
Synonyms 1,2,4,4a,10a-hexahydro-9-bromo-1,4a-dimethyl-7-(1-methylethenyl)-1-phenanthrenecarboxylic acid Methyl (4beta)-7-bromoabieta-6,8,11,13,15(17)-pentaen-18-oate
Wiley ID 1363806