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Bromadol

View entire compound with spectra: 1 MS (GC)

Bromadol
SpectraBase Compound ID 3dj9O0fIZiK
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-HZCBDIJESA-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 FMxVH0bGhSg
Name Bromadol
Catalog Number 15608
CAS Registry Number 77239-98-6
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-HZCBDIJESA-N
Molecular Weight 402.376 g/mol
SMILES O[C@]1(CC[C@](CC1)(c1ccc(cc1)Br)N(C)C)CCc1ccccc1
SPLASH splash10-000f-5790000000-1a643292ca795e7610d5
Source of Spectrum CAY-2023-634-0
Wiley ID 1888593