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6-{[4-(propan-2-yl)phenyl]formamido}hexanoic acid
SpectraBase Compound ID JVFonyTJD6J
InChI InChI=1S/C16H23NO3/c1-12(2)13-7-9-14(10-8-13)16(20)17-11-5-3-4-6-15(18)19/h7-10,12H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKey DPLOZJSLOIUJBX-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58Xl87aL2Ul
Name 6-{[4-(propan-2-yl)phenyl]formamido}hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-12(2)13-7-9-14(10-8-13)16(20)17-11-5-3-4-6-15(18)19/h7-10,12H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)
InChIKey DPLOZJSLOIUJBX-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES N(C(c1ccc(cc1)C(C)C)=O)CCCCCC(=O)O
SPLASH splash10-0002-4910000000-b6c85ff5d4600cf2336b
Source of Spectrum IY-2-4833-6
Synonyms Hexanoic acid, 6-[[4-(1-methylethyl)benzoyl]amino]- 6-[[oxo-(4-propan-2-ylphenyl)methyl]amino]hexanoic acid 6-[(4-propan-2-ylbenzoyl)amino]hexanoic acid 6-[(4-isopropylbenzoyl)amino]hexanoic acid 6-[(4-propan-2-ylphenyl)carbonylamino]hexanoic acid
Wiley ID 1656319