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4,6-O-Benzylidene-D-allal

View entire compound with spectra: 4 NMR, 1 FTIR, and 2 MS (GC)

4,6-O-Benzylidene-D-allal
SpectraBase Compound ID Bx0JgoQZ5h0
InChI InChI=1S/C13H14O4/c14-10-6-7-15-11-8-16-13(17-12(10)11)9-4-2-1-3-5-9/h1-7,10-14H,8H2
InChIKey XMDUTBYCCVWPLD-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APTGIpwQMCA
Name 2-Phenyl-4,4A,8,8A-tetrahydropyrano[3,2-D][1,3]dioxin-8-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c14-10-6-7-15-11-8-16-13(17-12(10)11)9-4-2-1-3-5-9/h1-7,10-14H,8H2
InChIKey XMDUTBYCCVWPLD-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES OC1C=COC2C1OC(OC2)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922224