| SpectraBase Spectrum ID |
IVxzckc6o5R |
| Name |
1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethylidene)-, (Z,Z,Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8-,18-12-,19-11- |
| InChIKey |
SHVZFTWRFOQOFU-XBMWAWDJSA-N |
| Molecular Weight |
272.476 g/mol |
| SMILES |
C1(=C(C)C)C\C=C/(CC\C=C/(CC\C=C/(CC1)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949796 |
