| SpectraBase Spectrum ID |
BO3G4wSs6KY |
| Name |
Omphamurin isovalerate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.172938551 u |
| Formula |
C21H26O6 |
| InChI |
InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1 |
| InChIKey |
VKLOXDKDHIKQPG-INIZCTEOSA-N |
| Molecular Weight |
374.433 g/mol |
| SMILES |
C12=C(C[C@](OC(=O)CC(C)C)(C(=C)C)[H])C(OC)=CC(=C2C=CC(O1)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805334 |
