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BENZOIC-ACID-(1-HYDROXY-2-PROPIN)-ESTER
SpectraBase Compound ID 6hqMOnCmYNU
InChI InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey NBDHEMWCIUHARG-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C10H8O2
Exact Mass 160.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAXVoIxvs9d
Name 2-Propyn-1-ol, benzoate
CAS Registry Number 6750-04-5
Comments Less than 3 mono-isotopic peaks
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Formula C10H8O2
InChI InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey NBDHEMWCIUHARG-UHFFFAOYSA-N
Molecular Weight 160.172 g/mol
SMILES C(=O)(OCC#C)c1ccccc1
SPLASH splash10-0a4i-0900000000-dd0d10787a16804ad93f
Source of Spectrum AH-119-261-9
Synonyms 2-Propynyl benzoate Prop-2-ynyl benzoate benzoic acid prop-2-ynyl ester Benzoic acid propargyl ester Propargyl benzoate
Wiley ID 1157024