| SpectraBase Spectrum ID |
KZDD89tpWMG |
| Name |
des-N-Dihydropseudotomatidine acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.375995467 u |
| Formula |
C30H50O3 |
| InChI |
InChI=1S/C30H50O3/c1-7-18(2)8-11-26-19(3)28-27(33-26)17-25-23-10-9-21-16-22(32-20(4)31)12-14-29(21,5)24(23)13-15-30(25,28)6/h18-19,21-28H,7-17H2,1-6H3 |
| InChIKey |
ULYIUFRHWFAIOK-UHFFFAOYSA-N |
| Molecular Weight |
458.727 g/mol |
| SMILES |
CCC(C)CCC1C(C)C2C3(C)CCC4C5(C)CCC(OC(=O)C)CC5CCC4C3CC2O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864193 |
