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

*Links on SpectraBase are not permalinks.

Benzoic acid, 4-bromo-, 2,3,4,4a,5,10,11,11a-octahydro-4a-hydroxy-1,1-dimethyl-8-(1-methylethyl)-5-oxo-1H-dibenzo[a,d]cyclohepten-7-yl ester, (4aR-trans)-

Compound with spectra: 1 MS (GC)

Benzoic acid, 4-bromo-, 2,3,4,4a,5,10,11,11a-octahydro-4a-hydroxy-1,1-dimethyl-8-(1-methylethyl)-5-oxo-1H-dibenzo[a,d]cyclohepten-7-yl ester, (4aR-trans)-
SpectraBase Compound ID 3bati8s0EDD
InChI InChI=1S/C27H31BrO4/c1-16(2)20-14-18-8-11-23-26(3,4)12-5-13-27(23,31)24(29)21(18)15-22(20)32-25(30)17-6-9-19(28)10-7-17/h6-7,9-10,14-16,23,31H,5,8,11-13H2,1-4H3/t23-,27+/m0/s1
InChIKey FRAMWCRZPZNDIS-WNCULLNHSA-N
Mol Weight 499.45 g/mol
Molecular Formula C27H31BrO4
Exact Mass 498.140572 g/mol
Enantiomer InChIKey FRAMWCRZPZNDIS-KCWPFWIISA-N

View Spectrum of Benzoic acid, 4-bromo-, 2,3,4,4a,5,10,11,11a-octahydro-4a-hydroxy-1,1-dimethyl-8-(1-methylethyl)-5-oxo-1H-dibenzo[a,d]cyclohepten-7-yl ester, (4aR-trans)-

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-42-534-10
10-epimer-13-p-bromobenzoate-pisiferdiol
2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, diacetate, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-
(4aS,10aR)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
12-HYDROXY-DEHYDROABIETIC-ACID-METHYLESTER
12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one
12-HYDROXY-11-METHOXY-13-METHYLPODOCARPA-8,11,13-TRIEN-3-ONE
(+-)-(4aR,9aR)-6-Benzyloxy-9a-hydroxy-2-methyl-3,4,4a,9a-tetrahydro-3,9-fluorenedione
RGJPCGDSAWMJGN-HEYJASKDSA-N
12,19-DIACETOXYABIETA-8,11,13-TRIENE
FKUQFJNWDVWKRV-JAYJBXMUSA-N
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.