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2-Pent-1-ynylbenzoic acid methyl ester
SpectraBase Compound ID HQfUJSBUp2L
InChI InChI=1S/C13H14O2/c1-3-4-5-8-11-9-6-7-10-12(11)13(14)15-2/h6-7,9-10H,3-4H2,1-2H3
InChIKey UODHXTHDWHIGKG-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 KNGzVdFPLy1
Name 2-Pent-1-ynylbenzoic acid methyl ester
Alternate Name(s) Methyl 2-pent-1-ynylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-3-4-5-8-11-9-6-7-10-12(11)13(14)15-2/h6-7,9-10H,3-4H2,1-2H3
InChIKey UODHXTHDWHIGKG-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C(c1c(C#CCCC)cccc1)(=O)OC
SPLASH splash10-00di-1900000000-cdca2656029003bbf66b
Source of Spectrum F-56-2539-10
Wiley ID 856598