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JMPRGJJUFLABJL-QNGBBERTSA-N
SpectraBase Compound ID Eat9utXEpIV
InChI InChI=1S/C12H16O4/c1-15-11(13)10-8-6-4-2-3-5-7-9(8)16-12(10)14/h2-3,8-10H,4-7H2,1H3/b3-2-/t8-,9-,10-/m0/s1
InChIKey JMPRGJJUFLABJL-QNGBBERTSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbQC1vWUvu4
Name (3S,3aR,9aS)-10-Oxo-9-oxabicyclo[6.3.0]undecan-4-en-11-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)10-8-6-4-2-3-5-7-9(8)16-12(10)14/h2-3,8-10H,4-7H2,1H3/b3-2-/t8-,9-,10-/m0/s1
InChIKey JMPRGJJUFLABJL-QNGBBERTSA-N
Literature Reference DOI 10.1002/cber.19751080827
Molecular Weight 224.256 g/mol
SMILES C1\C=C/CC[C@]2([C@](C1)([C@](C(O2)=O)(C(=O)OC)[H])[H])[H]
SPLASH splash10-000j-0900000000-7894a7a3be9bb0d30a7d
Source of Spectrum K-108-2700-8
Synonyms Methyl (3S,3aR,9aS,Z)-2-oxo-2,3,3a,4,5,8,9,9a-octahydrocycloocta[b]furan-3-carboxylate
Wiley ID 1794019