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(+-)-trans-3-Acetoxy-2-phenyl- 1,5-benzodioxapine

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

(+-)-trans-3-Acetoxy-2-phenyl- 1,5-benzodioxapine
SpectraBase Compound ID 7QJPKEtvHne
InChI InChI=1S/C17H16O4/c1-12(18)20-16-11-19-14-9-5-6-10-15(14)21-17(16)13-7-3-2-4-8-13/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1
InChIKey WJMHEXJMZABGAG-SJORKVTESA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zWOcIo31PU
Name (+-)-trans-3-acetoxy-2-phenyl- 1,5-benzodioxapine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-12(18)20-16-11-19-14-9-5-6-10-15(14)21-17(16)13-7-3-2-4-8-13/h2-10,16-17H,11H2,1H3/t16-,17+/m1/s1
InChIKey WJMHEXJMZABGAG-SJORKVTESA-N
SMILES [C@@]1(OC=2C(OC[C@]1(OC(=O)C)[H])=CC=CC2)(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956807