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5-(p-Tolyl)-pent-4-ynoic acid - Methyl ester

View entire compound with spectra: 1 MS (GC)

5-(p-Tolyl)-pent-4-ynoic acid - Methyl ester
SpectraBase Compound ID IH3cw12thdr
InChI InChI=1S/C13H14O2/c1-11-7-9-12(10-8-11)5-3-4-6-13(14)15-2/h7-10H,4,6H2,1-2H3
InChIKey RTBGCICIAHBNRT-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bmBIDtIQ5W
Name 5-(p-Tolyl)-pent-4-ynoic acid - Methyl ester
Alternate Name(s) 5-(p-Tolyl)pent-4-ynoic acid - Methyl ester Methyl 5-(p-tolyl)pent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-11-7-9-12(10-8-11)5-3-4-6-13(14)15-2/h7-10H,4,6H2,1-2H3
InChIKey RTBGCICIAHBNRT-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C(#CCCC(=O)OC)c1ccc(cc1)C
SPLASH splash10-0a4u-0910000000-aecfdf120cfa5f58ddf6
Source of Spectrum F5-6-2976-5c
Wiley ID 1733532