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4,6,8-Trimethyl-5-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

4,6,8-Trimethyl-5-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SpectraBase Compound ID DBUbMISYXON
InChI InChI=1S/C18H20N2O3/c1-12-10-13(2)17-16(11-12)23-9-8-19(3)18(17)14-4-6-15(7-5-14)20(21)22/h4-7,10-11,18H,8-9H2,1-3H3
InChIKey LCVRRDUQLALQMD-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DUBoEqqpFrT
Name 4,6,8-Trimethyl-5-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.147392509 u
Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c1-12-10-13(2)17-16(11-12)23-9-8-19(3)18(17)14-4-6-15(7-5-14)20(21)22/h4-7,10-11,18H,8-9H2,1-3H3
InChIKey LCVRRDUQLALQMD-UHFFFAOYSA-N
SMILES C12=C(OCCN(C2C=2C=CC(N(=O)=O)=CC2)C)C=C(C=C1C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939327