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3-Methylbenzylamine 4-butylbenzoyl
SpectraBase Compound ID EYILoglPKLq
InChI InChI=1S/C19H23NO/c1-3-4-7-16-9-11-18(12-10-16)19(21)20-14-17-8-5-6-15(2)13-17/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,20,21)
InChIKey NXNNUKATMGMHDX-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkrijLAdyCW
Name 3-Methylbenzylamine 4-butylbenzoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.177964364 u
Formula C19H23NO
InChI InChI=1S/C19H23NO/c1-3-4-7-16-9-11-18(12-10-16)19(21)20-14-17-8-5-6-15(2)13-17/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,20,21)
InChIKey NXNNUKATMGMHDX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.399 g/mol
Nominal Mass 281 u
Quality 987
Retention Index 2533
SMILES C=1(C(NCC2=CC(=CC=C2)C)=O)C=CC(=CC1)CCCC
SPLASH splash10-03ec-6930000000-fdeda63aecd685193dfc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Butyl-N-(3-methylbenzyl)benzamide
Technique GC/MS
Wiley ID DD2024_023753