| SpectraBase Spectrum ID |
LgVxJJgw6j4 |
| Name |
Baccharane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.422551739 u |
| Formula |
C30H54 |
| InChI |
InChI=1S/C30H54/c1-22(2)11-9-16-27(5)19-20-29(7)23(21-27)12-13-25-28(6)17-10-15-26(3,4)24(28)14-18-30(25,29)8/h22-25H,9-21H2,1-8H3 |
| InChIKey |
MDHNGUIZZLNVNV-UHFFFAOYSA-N |
| Molecular Weight |
414.762 g/mol |
| SMILES |
C12(CCC3C(C2CCC2C1(CCC(C2)(C)CCCC(C)C)C)(CCCC3(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919426 |
