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4-Nitro-N-(3-phenylprop-2-ynyl)benzamide
SpectraBase Compound ID rM93xdqibW
InChI InChI=1S/C16H12N2O3/c19-16(14-8-10-15(11-9-14)18(20)21)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,12H2,(H,17,19)
InChIKey CZEISIBQCCOULZ-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C16H12N2O3
Exact Mass 280.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6LEGQnw1t2
Name 4-Nitro-N-(3-phenylprop-2-ynyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O3
InChI InChI=1S/C16H12N2O3/c19-16(14-8-10-15(11-9-14)18(20)21)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,12H2,(H,17,19)
InChIKey CZEISIBQCCOULZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b01860
Molecular Weight 280.283 g/mol
SMILES N(C(c1ccc(cc1)[N+]([O-])=O)=O)CC#Cc1ccccc1
SPLASH splash10-0ue9-4970000000-0a09acd72fabd8deca1e
Source of Spectrum A1-17-4136/SM28-1n
Synonyms 4-Nitro-N-(3-phenylprop-2-yn-1-yl)benzamide
Wiley ID 1802217