| SpectraBase Spectrum ID |
8ETHkN4Jj5Q |
| Name |
3,3-Dimethyl-1,2-diphenylcyclopropane-trans-1,2-diyl-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.151809184 u |
| Formula |
C21H22O4 |
| InChI |
InChI=1S/C21H22O4/c1-15(22)24-20(17-11-7-5-8-12-17)19(3,4)21(20,25-16(2)23)18-13-9-6-10-14-18/h5-14H,1-4H3/t20-,21-/m0/s1 |
| InChIKey |
SRADEIKUCMVJEL-SFTDATJTSA-N |
| Molecular Weight |
338.403 g/mol |
| SMILES |
[C@]1(OC(=O)C)([C@](OC(=O)C)(C=2C=CC=CC2)C1(C)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893251 |
