| SpectraBase Spectrum ID |
2l3SNnghUZc |
| Name |
1,3,5,7-Cyclooctatetraene |
| CAS Registry Number |
629-20-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
104.062600258 u |
| Formula |
C8H8 |
| InChI |
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7- |
| InChIKey |
KDUIUFJBNGTBMD-BONZMOEMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
104.152 g/mol |
| Nominal Mass |
104 u |
| Quality |
751 |
| Retention Index |
775 |
| SMILES |
\C=1\C=C/C=C\C=C/C/1 |
| SPLASH |
splash10-0ufr-9700000000-ddc002293142ae34f434 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
cycloocta-1,3,5,7-tetraene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006769 |
