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8-keto-8-methoxy-oct-6-ynoic acid
SpectraBase Compound ID BUbDKnTEuEj
InChI InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-4,6H2,1H3,(H,10,11)
InChIKey NZMPMIDRSFHTSX-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOk3CfqZfwT
Name 8-keto-8-methoxy-oct-6-ynoic acid
CAS Registry Number 119837-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-4,6H2,1H3,(H,10,11)
InChIKey NZMPMIDRSFHTSX-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OC(CCCCC#CC(=O)OC)=O
SPLASH splash10-01t9-4900000000-dc54ceab1636ff43f14f
Source of Spectrum KC-1988-3252-3
Synonyms 8-Methoxy-8-oxidanylidene-oct-6-ynoic acid 8-Methoxy-8-oxo-6-octynoic acid 8-Methoxy-8-oxo-oct-6-ynoic acid
Wiley ID 1180347