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1H-Indole-3-propanamide, .alpha.-(acetylamino)-6-bromo-, (S)-
SpectraBase Compound ID 9l6jiPQQQSn
InChI InChI=1S/C13H14BrN3O2/c1-7(18)17-12(13(15)19)4-8-6-16-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,16H,4H2,1H3,(H2,15,19)(H,17,18)/t12-/m0/s1
InChIKey ZNMZRZYMLPIDDS-LBPRGKRZSA-N
Mol Weight 324.18 g/mol
Molecular Formula C13H14BrN3O2
Exact Mass 323.02694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRz7ZjDk5h2
Name 1H-Indole-3-propanamide, .alpha.-(acetylamino)-6-bromo-, (S)-
Alternate Name(s) (2S)-2-(acetylamino)-3-(6-bromo-1H-indol-3-yl)propanamide 2-Acetylamino-3-(6'-bromoindol-3-yl)propionamide
CAS Registry Number 71932-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrN3O2
InChI InChI=1S/C13H14BrN3O2/c1-7(18)17-12(13(15)19)4-8-6-16-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,16H,4H2,1H3,(H2,15,19)(H,17,18)/t12-/m0/s1
InChIKey ZNMZRZYMLPIDDS-LBPRGKRZSA-N
Molecular Weight 324.178 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)N)(NC(=O)C)[H])c1)ccc(c2)Br
SPLASH splash10-08fr-0190000000-f1ef4f7c6c1719b6012f
Source of Spectrum I-57-2327-0
Wiley ID 1322289