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Methyl 2-(cyclopropylethynyl)benzoate
SpectraBase Compound ID F5VaUc5crSI
InChI InChI=1S/C13H12O2/c1-15-13(14)12-5-3-2-4-11(12)9-8-10-6-7-10/h2-5,10H,6-7H2,1H3
InChIKey QRJBAJLVMSZHQD-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KescGFdqHp1
Name Methyl 2-(cyclopropylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-15-13(14)12-5-3-2-4-11(12)9-8-10-6-7-10/h2-5,10H,6-7H2,1H3
InChIKey QRJBAJLVMSZHQD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 200.237 g/mol
SMILES c1cc(c(cc1)C#CC1CC1)C(OC)=O
SPLASH splash10-0ug0-0930000000-9b33af5d26d22a2cf13f
Source of Spectrum ASC-354-133/SM41-38e
Synonyms Methyl 2-(2-cyclopropylethynyl)benzoate
Wiley ID 1762606