| SpectraBase Spectrum ID |
L7YWjone7WR |
| Name |
N-(4-Ethylphenyl)-3-methyl-1,3-benzoxazol-2(3H)-imine (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.126263142 u |
| Formula |
C16H16N2O |
| InChI |
InChI=1S/C16H16N2O/c1-3-12-8-10-13(11-9-12)17-16-18(2)14-6-4-5-7-15(14)19-16/h4-11H,3H2,1-2H3/b17-16- |
| InChIKey |
JIAGLCRWPBSSKL-MSUUIHNZSA-N |
| Molecular Weight |
252.317 g/mol |
| SMILES |
C1(\N=C\2N(C3=C(O2)C=CC=C3)C)=CC=C(C=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944847 |
