| SpectraBase Spectrum ID |
HiDDE3Dta8B |
| Name |
Toluene <4,5-dihydro-> |
| CAS Registry Number |
1489-57-2 |
| 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 |
94.078250322 u |
| Formula |
C7H10 |
| InChI |
InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3 |
| InChIKey |
XMWINMVFKPHMJB-UHFFFAOYSA-N |
| Molecular Weight |
94.157 g/mol |
| Number of Peaks |
31 |
| RI1 |
766 |
| SMILES |
C=1CCC=C(C)C1 |
| SPLASH |
splash10-004i-9000000000-d2a9b1411c183c316494 |
| 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-Cyclohexadiene, 2-methyl- |
| Wiley ID |
LM_FFNSC3_2229 |
