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Furo[3,4-d]-1,3-dioxole-3a(4H)-carboxylic acid, 6-ethoxydihydro-2,2-bis(1-methylethyl)-4-oxo-, ethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-

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

Furo[3,4-d]-1,3-dioxole-3a(4H)-carboxylic acid, 6-ethoxydihydro-2,2-bis(1-methylethyl)-4-oxo-, ethyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID E1mGSaCdx3
InChI InChI=1S/C16H26O7/c1-7-19-12-11-15(14(18)21-12,13(17)20-8-2)23-16(22-11,9(3)4)10(5)6/h9-12H,7-8H2,1-6H3/t11-,12+,15+/m0/s1
InChIKey LFFDFZKZFNZZAL-YWPYICTPSA-N
Mol Weight 330.38 g/mol
Molecular Formula C16H26O7
Exact Mass 330.167853 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K5QRKC5UjqA
Name Furo[3,4-D]-1,3-dioxole-3A(4H)-carboxylic acid, 6-ethoxydihydro-2,2-bis(1-methylethyl)-4-oxo-, ethyl ester, (3A.alpha.,6.alpha.,6A.alpha.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.167853170 u
Formula C16H26O7
InChI InChI=1S/C16H26O7/c1-7-19-12-11-15(14(18)21-12,13(17)20-8-2)23-16(22-11,9(3)4)10(5)6/h9-12H,7-8H2,1-6H3/t11-,12+,15+/m0/s1
InChIKey LFFDFZKZFNZZAL-YWPYICTPSA-N
Molecular Weight 330.377 g/mol
SMILES [C@@]12([C@@](OC(O2)(C(C)C)C(C)C)([C@](OCC)(OC1=O)[H])[H])C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820518