| SpectraBase Spectrum ID |
Bkz8h0j51CR |
| Name |
1-Carbethoxy-5,5-dimethyl-3-phenyl-DELTA2-1,2,4-triazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.132076797 u |
| Formula |
C13H17N3O2 |
| InChI |
InChI=1S/C13H17N3O2/c1-4-18-12(17)16-13(2,3)14-11(15-16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15) |
| InChIKey |
PDLNTXNELPUALH-UHFFFAOYSA-N |
| Molecular Weight |
247.298 g/mol |
| SMILES |
C1(=NN(C(N1)(C)C)C(OCC)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964472 |
