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Ethyl 4-(3-amino-3-oxoprop-1-yn-1-yl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(3-amino-3-oxoprop-1-yn-1-yl)benzoate
SpectraBase Compound ID HWFZL4J2Uko
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,2H2,1H3,(H2,13,14)
InChIKey RCDWBXNNGLJKDQ-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeXA3uOvyxq
Name Ethyl 4-(3-amino-3-oxoprop-1-yn-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,2H2,1H3,(H2,13,14)
InChIKey RCDWBXNNGLJKDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol101469f
Molecular Weight 217.224 g/mol
SMILES NC(C#Cc1ccc(C(=O)OCC)cc1)=O
SPLASH splash10-00di-0950000000-66546aa790fcfeb7eeeb
Source of Spectrum A1-12-3648/SMS19-2w
Wiley ID 1752459