| SpectraBase Spectrum ID |
DaV8roIOqG |
| Name |
11,13-Dihydrolactucin diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.136553041 u |
| Formula |
C19H22O7 |
| InChI |
InChI=1S/C19H22O7/c1-8-5-14(25-11(4)21)16-9(2)19(23)26-18(16)17-12(7-24-10(3)20)6-13(22)15(8)17/h6,9,14,16-18H,5,7H2,1-4H3/t9-,14+,16-,17+,18+/m1/s1 |
| InChIKey |
DAMXJAGVJGRUEI-KBQFZJGVSA-N |
| Molecular Weight |
362.378 g/mol |
| SMILES |
C1=2[C@@]([C@@]3([C@@]([C@](CC2C)(OC(C)=O)[H])([C@@](C)(C(O3)=O)[H])[H])[H])(C(COC(C)=O)=CC1=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859498 |
