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4-Pentenoic acid
SpectraBase Compound ID IOfJYw8yXK6
InChI InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z6AL1Amz4j
Name 4-Pentenoic acid
CAS Registry Number 591-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N
Molecular Weight 100.117 g/mol
SMILES OC(CCC=C)=O
SPLASH splash10-0pb9-9000000000-b225e9e73d548020cb58
Source ex BEDOUKIAN ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Pentenoic acid<4->
Wiley ID 1887773