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cis-Bromadol

View entire compound with spectra: 1 MS (GC)

cis-Bromadol
SpectraBase Compound ID KmVuK6cnYq5
InChI InChI=1S/C22H28BrNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3/t21-,22+
InChIKey PRSUTWWKYIVBEU-SZPZYZBQSA-N
Mol Weight 402.38 g/mol
Molecular Formula C22H28BrNO
Exact Mass 401.135428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xwr4vaLDn
Name cis-Bromadol
Catalog Number 25063
CAS Registry Number 77239-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28BrNO
InChI InChI=1S/C22H28BrNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3/t21-,22+
InChIKey PRSUTWWKYIVBEU-SZPZYZBQSA-N
Molecular Weight 402.376 g/mol
SMILES O[C@]1(CCc2ccccc2)CC[C@](CC1)(c1ccc(cc1)Br)N(C)C
SPLASH splash10-0006-5690000000-be92ba3960fe0763da86
Source of Spectrum CAY-2023-643-0
Wiley ID 1888602