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Trans-3-methyl-2,3-dihydrobenzofuran-2,3-diol diacetate

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Trans-3-methyl-2,3-dihydrobenzofuran-2,3-diol diacetate
SpectraBase Compound ID 69W4cKViIaf
InChI InChI=1S/C13H14O5/c1-8(14)16-12-13(3,18-9(2)15)10-6-4-5-7-11(10)17-12/h4-7,12H,1-3H3/t12-,13-/m0/s1
InChIKey ZTNXTKQKSFDPPL-STQMWFEESA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82cHfrq4t0Y
Name Trans-3-methyl-2,3-dihydrobenzofuran-2,3-diol diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.084123546 u
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-8(14)16-12-13(3,18-9(2)15)10-6-4-5-7-11(10)17-12/h4-7,12H,1-3H3/t12-,13-/m0/s1
InChIKey ZTNXTKQKSFDPPL-STQMWFEESA-N
Molecular Weight 250.250 g/mol
SMILES [C@]1(OC=2C([C@]1(C)OC(C)=O)=CC=CC2)(OC(C)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933397