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

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

2H-3,1-Benzoxazine, octahydro-2-(4-methoxyphenyl)-, cis-
SpectraBase Compound ID 4ARE1iepURy
InChI InChI=1S/C15H21NO2/c1-17-13-8-6-11(7-9-13)15-16-14-5-3-2-4-12(14)10-18-15/h6-9,12,14-16H,2-5,10H2,1H3
InChIKey YDNQVKBSRJDSSB-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6GbFRhOYISY
Name 2H-3,1-Benzoxazine, octahydro-2-(4-methoxyphenyl)-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.157228918 u
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-17-13-8-6-11(7-9-13)15-16-14-5-3-2-4-12(14)10-18-15/h6-9,12,14-16H,2-5,10H2,1H3
InChIKey YDNQVKBSRJDSSB-UHFFFAOYSA-N
Molecular Weight 247.338 g/mol
SMILES C1CCC2C(C1)NC(OC2)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804646