| SpectraBase Spectrum ID |
AAiPSVpAKLw |
| Name |
Cycloheptatriene |
| CAS Registry Number |
544-25-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
92.062600258 u |
| Formula |
C7H8 |
| InChI |
InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey |
CHVJITGCYZJHLR-UHFFFAOYSA-N |
| Molecular Weight |
92.141 g/mol |
| Number of Peaks |
43 |
| RI1 |
792 |
| RI2 |
448 |
| SMILES |
C=1C=CCC=CC1 |
| SPLASH |
splash10-0006-9000000000-3c35e73e6e07b9006296 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,3,5-Cycloheptatriene |
| Wiley ID |
LM_FFNSC3_1851 |
