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7-amino-3-benzyl-2H-1,4-benzoxazin-2-one

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

7-amino-3-benzyl-2H-1,4-benzoxazin-2-one
SpectraBase Compound ID G62QBtr0qs4
InChI InChI=1S/C15H12N2O2/c16-11-6-7-12-14(9-11)19-15(18)13(17-12)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2
InChIKey GRGNGMRXPHEQQZ-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C15H12N2O2
Exact Mass 252.089878 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GFevkMOqUcT
Name 7-Amino-3-benzyl-2H-1,4-benzoxazin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.089877632 u
Formula C15H12N2O2
InChI InChI=1S/C15H12N2O2/c16-11-6-7-12-14(9-11)19-15(18)13(17-12)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2
InChIKey GRGNGMRXPHEQQZ-UHFFFAOYSA-N
Molecular Weight 252.273 g/mol
SMILES NC=1C=CC=2N=C(C(OC2C1)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.849154