| SpectraBase Spectrum ID |
BSXYSSkY4Nk |
| Name |
1,1-Dimethyl 5-benzyl-2,2,3-trimethylcyclopentane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-13-11-15(12-14-9-7-6-8-10-14)19(16(20)22-4,17(21)23-5)18(13,2)3/h6-10,13,15H,11-12H2,1-5H3 |
| InChIKey |
RDUXVHPZSOXUNM-UHFFFAOYSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C1(C(C(C)(C)C(C1)C)(C(OC)=O)C(OC)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819313 |
