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5-carbomethoxy-trans-2-oxadecal-6-one
SpectraBase Compound ID G3tnfKRDUTd
InChI InChI=1S/C11H16O4/c1-14-11(13)10-8-4-5-15-6-7(8)2-3-9(10)12/h7-8,10H,2-6H2,1H3/t7-,8-,10?/m1/s1
InChIKey FKHHECNPQJIMPN-SZBHIRRCSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkmxW29Hpfk
Name 5-carbomethoxy-trans-2-oxadecal-6-one
Alternate Name(s) Methyl (4aR,8aS)-6-oxooctahydro-1H-2-benzopyran-5-carboxylate
CAS Registry Number 96728-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-14-11(13)10-8-4-5-15-6-7(8)2-3-9(10)12/h7-8,10H,2-6H2,1H3/t7-,8-,10?/m1/s1
InChIKey FKHHECNPQJIMPN-SZBHIRRCSA-N
Molecular Weight 212.245 g/mol
SMILES C1(C(=O)OC)[C@]2([C@](COCC2)([H])CCC1=O)[H]
SPLASH splash10-000x-0910000000-9301578ebd46992b44c5
Source of Spectrum J-50-2612-19
Wiley ID 1211211