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(1R*,2R*,5S*,6S*,9S*)-2-(Methoxycarbonyl)-5,9-dimethyl-8-oxabicyclo[4.3.0]non-3-en-7-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1R*,2R*,5S*,6S*,9S*)-2-(Methoxycarbonyl)-5,9-dimethyl-8-oxabicyclo[4.3.0]non-3-en-7-one
SpectraBase Compound ID II9S0Oo3NNr
InChI InChI=1S/C12H16O4/c1-6-4-5-8(11(13)15-3)10-7(2)16-12(14)9(6)10/h4-10H,1-3H3/t6-,7-,8+,9-,10+/m0/s1
InChIKey CSWFFTDUVABFME-GENCIFFESA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2KabtHfqNyN
Name (1R*,2R*,5S*,6S*,9S*)-2-(Methoxycarbonyl)-5,9-dimethyl-8-oxabicyclo[4.3.0]non-3-en-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.104858991 u
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-6-4-5-8(11(13)15-3)10-7(2)16-12(14)9(6)10/h4-10H,1-3H3/t6-,7-,8+,9-,10+/m0/s1
InChIKey CSWFFTDUVABFME-GENCIFFESA-N
Molecular Weight 224.256 g/mol
SMILES C1(O[C@@](C)([C@]2([C@@]1([C@](C=C[C@]2(C(=O)OC)[H])(C)[H])[H])[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906536