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2.alpha.-Methoxycarbonylmethyl-3.beta.-hydroxycyclohept-6-en-1-one
SpectraBase Compound ID 700j87yZX64
InChI InChI=1S/C10H14O4/c1-14-10(13)6-7-8(11)4-2-3-5-9(7)12/h2,4,7,9,12H,3,5-6H2,1H3/t7-,9-/m0/s1
InChIKey FSPRWWAMNAUCQN-CBAPKCEASA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQv4Be3sesb
Name 2.alpha.-Methoxycarbonylmethyl-3.beta.-hydroxycyclohept-6-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-14-10(13)6-7-8(11)4-2-3-5-9(7)12/h2,4,7,9,12H,3,5-6H2,1H3/t7-,9-/m0/s1
InChIKey FSPRWWAMNAUCQN-CBAPKCEASA-N
Molecular Weight 198.218 g/mol
SMILES O[C@@]1([C@](C(C=CCC1)=O)(CC(=O)OC)[H])[H]
SPLASH splash10-006t-5900000000-3da7029bbf4ed152ca01
Source of Spectrum F-52-11304-17
Synonyms ((1R,7S)-7-Hydroxy-2-oxo-cyclohept-3-enyl)-acetic acid methyl ester Methyl[(1S,7R)-7-hydroxy-2-oxo-3-cyclohepten-1-yl]acetate
Wiley ID 798230