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

*Links on SpectraBase are not permalinks.
(3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene
SpectraBase Compound ID EICPLo36MBi
InChI InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18-,20-,22-/m0/s1
InChIKey CJHVIULDINQKLP-ANGVJOKOSA-N
Mol Weight 389.38 g/mol
Molecular Formula C22H29BrO
Exact Mass 388.140179 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 BiRjAvzi1f8
Name (3R,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29BrO
InChI InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18-,20-,22-/m0/s1
InChIKey CJHVIULDINQKLP-ANGVJOKOSA-N
Molecular Weight 389.377 g/mol
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@@](\C=C/c2c(Br)cccc2)([H])C=CC1)[H])C
SPLASH splash10-08fr-0692000000-a73cf4a1c31fc27fb39d
Source of Spectrum C-120-8976-23
Synonyms (3S,3aS,7S,7aS)-3-tert-Butyloxy-3a-methyl-7(Z)-[2-(2-bromo-phenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene (6Z,17beta)-4-bromo-17-tert-butoxy-9,10-secoestra-1,3,5(10),6,9-pentaene
Wiley ID 760983