| SpectraBase Spectrum ID |
AV6DP2L5I29 |
| Name |
3-Hydroxymethyl-ndz |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.066555365 u |
| Formula |
C16H13ClN2O2 |
| InChI |
InChI=1S/C16H13ClN2O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18-14(9-20)16(21)19-13/h1-8,14,20H,9H2,(H,19,21) |
| InChIKey |
IDUWESZTPCUHJF-UHFFFAOYSA-N |
| Molecular Weight |
300.745 g/mol |
| SMILES |
C12=C(NC(C(N=C2C2=CC=CC=C2)CO)=O)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810596 |
