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(3S,3aR,9aS)-10-Oxo-9-oxabicyclo[6.3.0]undecan-2-en-11-carboxylic acid methyl ester
SpectraBase Compound ID BlGuMJD1prN
InChI InChI=1S/C12H16O4/c1-15-11(13)10-8-6-4-2-3-5-7-9(8)16-12(10)14/h4,6,8-10H,2-3,5,7H2,1H3/b6-4-/t8-,9-,10-/m0/s1
InChIKey RVTSLQSLSLWGNW-LIYBTNOUSA-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 4ugJckGZmZK
Name (3S,3aR,9aS)-10-Oxo-9-oxabicyclo[6.3.0]undecan-2-en-11-carboxylic acid methyl ester
Alternate Name(s) Methyl (3S,3aR,9aS,Z)-2-oxo-2,3,3a,6,7,8,9,9a-octahydrocycloocta[b]furan-3-carboxylate
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/h4,6,8-10H,2-3,5,7H2,1H3/b6-4-/t8-,9-,10-/m0/s1
InChIKey RVTSLQSLSLWGNW-LIYBTNOUSA-N
Literature Reference DOI 10.1002/cber.19751080827
Molecular Weight 224.256 g/mol
SMILES C1C\C=C/[C@]2([C@](CC1)(OC([C@@]2(C(=O)OC)[H])=O)[H])[H]
SPLASH splash10-07jr-0900000000-e2c10014c1c1414d9215
Source of Spectrum K-108-2700-5
Wiley ID 1794017