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1,3-Dioxole, 2-[4-benzyloxy-3-methoxy-2-nitrophenyl]-

View entire compound with spectra: 1 FTIR

1,3-Dioxole, 2-[4-benzyloxy-3-methoxy-2-nitrophenyl]-
SpectraBase Compound ID 3g57yhYSy7q
InChI InChI=1S/C17H17NO6/c1-21-16-14(24-11-12-5-3-2-4-6-12)8-7-13(15(16)18(19)20)17-22-9-10-23-17/h2-8,17H,9-11H2,1H3
InChIKey OWSGZGZCRWXUMO-UHFFFAOYSA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Lzdva9uxYg
Name 1,3-Dioxole, 2-[4-benzyloxy-3-methoxy-2-nitrophenyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.105587265 u
Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-21-16-14(24-11-12-5-3-2-4-6-12)8-7-13(15(16)18(19)20)17-22-9-10-23-17/h2-8,17H,9-11H2,1H3
InChIKey OWSGZGZCRWXUMO-UHFFFAOYSA-N
Molecular Weight 331.324 g/mol
SMILES C1=C(C(=C(C(=C1)OCC1=CC=CC=C1)OC)N(=O)=O)C1OCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927246