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Methyl (1R*,2'x,3R*,3aR*)-3-acetoxy-3a-(2',3'-epoxy-3'-methylbutyl)-5,5-ethylenedioxy-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate

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

Methyl (1R*,2'x,3R*,3aR*)-3-acetoxy-3a-(2',3'-epoxy-3'-methylbutyl)-5,5-ethylenedioxy-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
SpectraBase Compound ID EZHEme4mxLT
InChI InChI=1S/C20H28O7/c1-11(21)26-16-7-12(18(22)23-4)13-8-14-15(25-6-5-24-14)9-20(13,16)10-17-19(2,3)27-17/h8,12,14-17H,5-7,9-10H2,1-4H3/t12-,14?,15?,16-,17+,20-/m1/s1
InChIKey FCNGCBNLTHYZFH-HEYUBMGOSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INZd7rWOMiB
Name Methyl (1R*,2'X,3R*,3ar*)-3-acetoxy-3A-(2',3'-epoxy-3'-methylbutyl)-5,5-ethylenedioxy-2,3,3A,4,5,6-hexahydro-1H-indene-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.183503235 u
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-11(21)26-16-7-12(18(22)23-4)13-8-14-15(25-6-5-24-14)9-20(13,16)10-17-19(2,3)27-17/h8,12,14-17H,5-7,9-10H2,1-4H3/t12-,14?,15?,16-,17+,20-/m1/s1
InChIKey FCNGCBNLTHYZFH-HEYUBMGOSA-N
Molecular Weight 380.437 g/mol
SMILES [C@@]12(C(=CC3C(C2)OCCO3)[C@](C(=O)OC)(C[C@]1(OC(=O)C)[H])[H])C[C@@]1(OC1(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87242