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

*Links on SpectraBase are not permalinks.
(13Z)-13-Bromo-13-desmethylretinol
SpectraBase Compound ID 9P1opQZMZjw
InChI InChI=1S/C19H27BrO/c1-15(7-5-9-17(20)12-14-21)10-11-18-16(2)8-6-13-19(18,3)4/h5,7,9-12,21H,6,8,13-14H2,1-4H3/b9-5+,11-10+,15-7+,17-12-
InChIKey XNWJBAMJSQOHOJ-RKAKCNBESA-N
Mol Weight 351.33 g/mol
Molecular Formula C19H27BrO
Exact Mass 350.124528 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 HfCadqcro95
Name (13Z)-13-Bromo-13-desmethylretinol
Alternate Name(s) (2Z,4E,6E,8E)-3-bromo-7-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO
InChI InChI=1S/C19H27BrO/c1-15(7-5-9-17(20)12-14-21)10-11-18-16(2)8-6-13-19(18,3)4/h5,7,9-12,21H,6,8,13-14H2,1-4H3/b9-5+,11-10+,15-7+,17-12-
InChIKey XNWJBAMJSQOHOJ-RKAKCNBESA-N
Molecular Weight 351.328 g/mol
SMILES OC\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)Br
SPLASH splash10-0ldj-8904000000-396fc1707a1a0dbcbe43
Source of Spectrum F-55-13785-14
Wiley ID 839940