| SpectraBase Spectrum ID |
DRPi9tj8bhi |
| Name |
6-Ethyl 2,2-dimethyl 7-methyl-3-phenyloxepine-2,2,6(3H)-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.136553041 u |
| Formula |
C20H22O7 |
| InChI |
InChI=1S/C20H22O7/c1-5-26-17(21)15-11-12-16(14-9-7-6-8-10-14)20(18(22)24-3,19(23)25-4)27-13(15)2/h6-12,16H,5H2,1-4H3 |
| InChIKey |
IZSJKCCZAVMNDU-UHFFFAOYSA-N |
| Molecular Weight |
374.389 g/mol |
| SMILES |
C1(OC(=C(C=CC1C=1C=CC=CC1)C(=O)OCC)C)(C(=O)OC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941211 |
