| SpectraBase Spectrum ID |
Kmlma2tMhAA |
| Name |
urs-12-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.391251610 u |
| Formula |
C30H50 |
| InChI |
InChI=1S/C30H50/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h10,20-21,23-25H,9,11-19H2,1-8H3 |
| InChIKey |
DGXIUFDVYPIXCI-UHFFFAOYSA-N |
| Molecular Weight |
410.730 g/mol |
| SMILES |
C12(C)C3(C)C(C4C(CC3)(C)CCC(C4C)C)=CCC2C2(C)C(CC1)C(C)(C)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919547 |
