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2-HYDROXY-2-METHYLPROPYL-3-(2-OXOCYCLOHEX-3-ENYL)-PROPANOATE
SpectraBase Compound ID PD3Hnvzw1z
InChI InChI=1S/C13H20O4/c1-13(2,16)9-17-12(15)8-7-10-5-3-4-6-11(10)14/h4,6,10,16H,3,5,7-9H2,1-2H3
InChIKey SFZADCJHLOVXEY-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OdYZfjbhfV
Name 3-Cyclohexene-1-propanoic acid, 2-oxo-, 2-hydroxy-2-methylpropyl ester
CAS Registry Number 126291-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-13(2,16)9-17-12(15)8-7-10-5-3-4-6-11(10)14/h4,6,10,16H,3,5,7-9H2,1-2H3
InChIKey SFZADCJHLOVXEY-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES OC(COC(CCC1C(C=CCC1)=O)=O)(C)C
SPLASH splash10-0l02-8900000000-cd262f4a69068aaa96b3
Source of Spectrum B-42-1248-20
Synonyms 2-Hydroxy-2-methylpropyl 3-(2-oxacyclohex-3-enyl)propanoate 2-Hydroxy-2-methylpropyl 3-(2-oxo-3-cyclohexen-1-yl)propanoate
Wiley ID 1242853