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2-Octynoic acid,ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 9 MS (GC)

2-Octynoic acid,ethyl ester
SpectraBase Compound ID FkQlcnYRXft
InChI InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3
InChIKey QPMDWYXUSMRVKT-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4p3ouCZ4IY
Name 2-OCTYNOIC ACID, ETHYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3
InChIKey QPMDWYXUSMRVKT-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
Nominal Mass 168 u
Number of Peaks 94
SMILES CCCCCC#CC(=O)OCC
SPLASH splash10-05xs-9200000000-79819d040e09deeaa93f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000809