Debug Info

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9t2UMYrs8IS
spectrumID
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9t2UMYrs8IS
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Mass Spectrum (GC)
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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
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t2UMYrs8IS
Name 2-Propyn-1-ol, benzoate
CAS Registry Number 6750-04-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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(c1ccccc1)(=O)OCC#C
SPLASH splash10-0a6r-6900000000-b6b864bdbe23246d1cb9
Source of Spectrum K1-2004-3452-6
Synonyms 2-Propynyl benzoate Prop-2-ynyl benzoate benzoic acid prop-2-ynyl ester Benzoic acid propargyl ester Propargyl benzoate
Wiley ID 1561328
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