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ZNRSBLMNXQUXAF-GUBZILKMSA-N
SpectraBase Compound ID 8yZIGrVxuO4
InChI InChI=1S/C12H18O4/c1-15-11(13)10-8-6-4-2-3-5-7-9(8)16-12(10)14/h8-10H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKey ZNRSBLMNXQUXAF-GUBZILKMSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WRVCpBZoN5
Name (3S,3aR,9aS)-10-Oxo-9-oxabicyclo[6.3.0]undecan-11-carboxylic acid methyl ester
Alternate Name(s) Methyl (3S,3aR,9aS)-2-oxodecahydrocycloocta[b]furan-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(13)10-8-6-4-2-3-5-7-9(8)16-12(10)14/h8-10H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKey ZNRSBLMNXQUXAF-GUBZILKMSA-N
Literature Reference DOI 10.1002/cber.19751080827
Molecular Weight 226.272 g/mol
SMILES C1CCC[C@]2([C@](CC1)(OC([C@@]2(C(=O)OC)[H])=O)[H])[H]
SPLASH splash10-0uyi-0900000000-b582d89cd0a1961b7aeb
Source of Spectrum K-108-2700-14
Wiley ID 1794010