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IDASOVSVRKONFS-UHFFFAOYSA-N
SpectraBase Compound ID G5W1ihySwRY
InChI InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChIKey IDASOVSVRKONFS-UHFFFAOYSA-N
Mol Weight 130.15 g/mol
Molecular Formula C9H6O
Exact Mass 130.041865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FVPKPDzv6f
Name 3-Phenylprop-2-ynal
CAS Registry Number 2579-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O
InChI InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChIKey IDASOVSVRKONFS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400785d
Molecular Weight 130.146 g/mol
SMILES c1cc(C#CC=O)ccc1
SPLASH splash10-0uir-3900000000-d7ab501f55f9c0decefc
Source of Spectrum A1-15-2222/SMS9-2z
Synonyms 3-Phenylpropiolaldehyde 2-Propynal, 3-phenyl- 3-Phenyl-2-propynal Benzenepropiolaldehyde 3-Phenylpropynal Phenylacetylenecarboxaldehyde Phenylpropargyl aldehyde Phenylpropiolaldehyde Phenylpropynal Propiolaldehyde, phenyl- AI3-33277 EINECS 219-942-0 NSC 47568
Wiley ID 1748552