| SpectraBase Spectrum ID |
BBe2EKJ3Shx |
| Name |
3-Chloro-3,4-dihydro-2.4-diphenyl-2H-1-benzopyran-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.091707485 u |
| Formula |
C21H17ClO2 |
| InChI |
InChI=1S/C21H17ClO2/c22-20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)24-21(20,23)16-11-5-2-6-12-16/h1-14,19-20,23H |
| InChIKey |
XCSXUQABSMYGKZ-UHFFFAOYSA-N |
| Molecular Weight |
336.818 g/mol |
| SMILES |
C1(OC2=CC=CC=C2C(C1Cl)C=1C=CC=CC1)(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956062 |
