| SpectraBase Spectrum ID |
CuXQRU8QYcm |
| Name |
1,7-Cyclobotryococcene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.453851868 u |
| Formula |
C30H58 |
| InChI |
InChI=1S/C30H58/c1-10-30(9)21-20-28(27(8)19-12-15-24(4)5)29(30)22-26(7)18-13-17-25(6)16-11-14-23(2)3/h19,23-26,28-29H,10-18,20-22H2,1-9H3/b27-19+ |
| InChIKey |
XOLVONFVLSRCQB-ZXVVBBHZSA-N |
| Molecular Weight |
418.794 g/mol |
| SMILES |
C1(C(\C(=C\CCC(C)C)C)CCC1(CC)C)CC(CCCC(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961888 |
