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N-(Cyclopropylmethyl)-3-bromobenzeneethanamine
SpectraBase Compound ID JLOhGsq5Hzq
InChI InChI=1S/C12H16BrN/c13-12-3-1-2-10(8-12)6-7-14-9-11-4-5-11/h1-3,8,11,14H,4-7,9H2
InChIKey UMTQCPOXODHCRG-UHFFFAOYSA-N
Mol Weight 254.17 g/mol
Molecular Formula C12H16BrN
Exact Mass 253.046613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ofKocHv1nM
Name N-(Cyclopropylmethyl)-3-bromobenzeneethanamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 253.046612519 u
Formula C12H16BrN
InChI InChI=1S/C12H16BrN/c13-12-3-1-2-10(8-12)6-7-14-9-11-4-5-11/h1-3,8,11,14H,4-7,9H2
InChIKey UMTQCPOXODHCRG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.171 g/mol
Nominal Mass 253 u
Quality 999
Retention Index 1716
SMILES C1(CNCCC=2C=C(C=CC2)Br)CC1
SPLASH splash10-053r-9000000000-d9686a3db92e7959c203
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(Cyclopropylmethyl)-3-bromophenethylamine 2-(3-bromophenyl)-N-(cyclopropylmethyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_022026