SpectraBase Spectrum ID |
6ToMRiXjMM0 |
Name |
3-Benzyl-4,6,7,8-tetrahydro-3H-pyrido[1,2-C][1,3]oxazin-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.125928789 u |
Formula |
C15H17NO2 |
InChI |
InChI=1S/C15H17NO2/c17-15-16-9-5-4-8-13(16)11-14(18-15)10-12-6-2-1-3-7-12/h1-3,6-8,14H,4-5,9-11H2 |
InChIKey |
SXYCMVSOBPRGEC-UHFFFAOYSA-N |
Molecular Weight |
243.306 g/mol |
SMILES |
C1(OC(CC=2N1CCCC2)CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872673 |