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2H-3,1-Benzoxazine, octahydro-2-(4-methylphenyl)-, cis-

View entire compound with spectra: 1 NMR, and 1 FTIR

2H-3,1-Benzoxazine, octahydro-2-(4-methylphenyl)-, cis-
SpectraBase Compound ID FYg4CW8avVx
InChI InChI=1S/C15H21NO/c1-11-6-8-12(9-7-11)15-16-14-5-3-2-4-13(14)10-17-15/h6-9,13-16H,2-5,10H2,1H3
InChIKey DLELKUHJMLKRIN-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A90cG8bBMsL
Name 2H-3,1-Benzoxazine, octahydro-2-(4-methylphenyl)-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.162314299 u
Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-11-6-8-12(9-7-11)15-16-14-5-3-2-4-13(14)10-17-15/h6-9,13-16H,2-5,10H2,1H3
InChIKey DLELKUHJMLKRIN-UHFFFAOYSA-N
Molecular Weight 231.339 g/mol
SMILES C1CCC2C(C1)NC(OC2)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808569