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(-)-(1S)-2-oxocyclohexanepropionic acid
SpectraBase Compound ID BAJmkQ8oWgl
InChI InChI=1S/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey JCIZEWRBCTUEFG-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9ov5i4aHZ
Name 3-(2-ketocyclohexyl)propionic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey JCIZEWRBCTUEFG-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES OC(CCC1C(=O)CCCC1)=O
SPLASH splash10-0002-9300000000-83c1797a2c306bef9c84
Source of Spectrum KC-0-1031-8
Synonyms 3-(2-Oxocyclohexyl)propanoic acid 3-(2-oxidanylidenecyclohexyl)propanoic acid
Wiley ID 785577