| SpectraBase Spectrum ID |
2GDHHGqZldl |
| Name |
Benzoic acid, 2,6-bis(2,2-dimethyl-1-oxopropoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.141638422 u |
| Formula |
C17H22O6 |
| InChI |
InChI=1S/C17H22O6/c1-16(2,3)14(20)22-10-8-7-9-11(12(10)13(18)19)23-15(21)17(4,5)6/h7-9H,1-6H3,(H,18,19) |
| InChIKey |
BRZLYCCKVAZNQR-UHFFFAOYSA-N |
| Molecular Weight |
322.357 g/mol |
| SMILES |
CC(C)(C)C(=O)OC1=CC=CC(=C1C(O)=O)OC(=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894444 |
