| SpectraBase Spectrum ID |
2ENlFxm4Orw |
| Name |
Benzene, 1-methoxy-4-isocyanato-2-propoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.089543280 u |
| Formula |
C11H13NO3 |
| InChI |
InChI=1S/C11H13NO3/c1-3-6-15-11-7-9(12-8-13)4-5-10(11)14-2/h4-5,7H,3,6H2,1-2H3 |
| InChIKey |
VSCREQPHHYFBQU-UHFFFAOYSA-N |
| Molecular Weight |
207.229 g/mol |
| SMILES |
C1(=C(C=CC(=C1)N=C=O)OC)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970119 |
