| SpectraBase Spectrum ID |
9ID0MAWydyA |
| Name |
4-Carbethoxy-4-(3-carbethoxypropyl)-4,5-dihydro-3-methylene-5-(2-phenethyl)-2(3H)-futranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-4-26-19(23)12-9-15-22(21(25)27-5-2)16(3)20(24)28-18(22)14-13-17-10-7-6-8-11-17/h6-8,10-11,18H,3-5,9,12-15H2,1-2H3 |
| InChIKey |
GGSUVRWOVOGOFV-UHFFFAOYSA-N |
| Molecular Weight |
388.460 g/mol |
| SMILES |
C1(C(C(=O)OC1CCC=1C=CC=CC1)=C)(C(=O)OCC)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900136 |
