SpectraBase Spectrum ID |
D6iPPDrmGO |
Name |
2-Hydroxy-5-chlorobenzophenone, trimethylacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.086622104 u |
Formula |
C18H17ClO3 |
InChI |
InChI=1S/C18H17ClO3/c1-18(2,3)17(21)22-15-10-9-13(19)11-14(15)16(20)12-7-5-4-6-8-12/h4-11H,1-3H3 |
InChIKey |
JTANAJFFGLKZJI-UHFFFAOYSA-N |
Molecular Weight |
316.784 g/mol |
SMILES |
C1(Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)C(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958216 |