| SpectraBase Spectrum ID |
7rL31OQLCeQ |
| Name |
(4as,8ar)-4-Phenyl-4A,5,6,7,8,8A-hexahydro-2H-phthalazin-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.126263142 u |
| Formula |
C14H16N2O |
| InChI |
InChI=1S/C14H16N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)/t11-,12+/m0/s1 |
| InChIKey |
BFXQAJJEPCWXHB-NWDGAFQWSA-N |
| Molecular Weight |
228.295 g/mol |
| SMILES |
C1(=NNC([C@@]2(CCCC[C@]12[H])[H])=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843195 |
