| SpectraBase Spectrum ID |
ChKol1uu5b1 |
| Name |
1H-Isoindole-1,3(2H)-dione, 3A,4,7,7A-tetrahydro-5-(hydroxydiphenylmethyl)-2-methyl-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.152143537 u |
| Formula |
C22H21NO3 |
| InChI |
InChI=1S/C22H21NO3/c1-23-20(24)18-13-12-17(14-19(18)21(23)25)22(26,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18-19,26H,13-14H2,1H3/t18-,19+/m1/s1 |
| InChIKey |
KFNOZHHBAGMWCO-MOPGFXCFSA-N |
| Molecular Weight |
347.414 g/mol |
| SMILES |
C1(N(C([C@@]2(CC=C(C[C@]12[H])C(C1=CC=CC=C1)(C=1C=CC=CC1)O)[H])=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939965 |
