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Ethyl [(1S)-4-oxocyclopent-2-enyl]acetic acid
SpectraBase Compound ID GqRZrSBLsT
InChI InChI=1S/C9H12O3/c1-2-8(9(11)12)6-3-4-7(10)5-6/h3-4,6,8H,2,5H2,1H3,(H,11,12)/t6-,8?/m1/s1
InChIKey OTGJUPXTMUBNPQ-XPJFZRNWSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ySkOEOX3Zb
Name Ethyl [(1S)-4-oxocyclopent-2-enyl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-2-8(9(11)12)6-3-4-7(10)5-6/h3-4,6,8H,2,5H2,1H3,(H,11,12)/t6-,8?/m1/s1
InChIKey OTGJUPXTMUBNPQ-XPJFZRNWSA-N
Molecular Weight 168.192 g/mol
SMILES OC(C([C@@]1(C=CC(C1)=O)[H])CC)=O
SPLASH splash10-00kb-9800000000-c23275ce681a7ccdf507
Source of Spectrum F-53-9520-0
Synonyms 2-[(1S)-4-oxo-2-cyclopenten-1-yl]butanoic acid
Wiley ID 802869