| SpectraBase Spectrum ID |
G19PXJHeXxs |
| Name |
Trans-4-(3,3-dicarbethoxy-2-phenylpropyl)-5-isopropyltetrahydrofuran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.204238680 u |
| Formula |
C22H30O6 |
| InChI |
InChI=1S/C22H30O6/c1-5-26-21(24)19(22(25)27-6-2)17(15-10-8-7-9-11-15)12-16-13-18(23)28-20(16)14(3)4/h7-11,14,16-17,19-20H,5-6,12-13H2,1-4H3/t16-,17?,20+/m1/s1 |
| InChIKey |
WIZBVSDFLIDOQA-ZYLKAMJESA-N |
| Molecular Weight |
390.476 g/mol |
| SMILES |
C(C(C[C@]1([C@@](OC(C1)=O)(C(C)C)[H])[H])C=1C=CC=CC1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970335 |
