| SpectraBase Spectrum ID |
DEJ01aLBnm1 |
| Name |
Thiophenol <2,6-dimethyl-> |
| Source of Sample |
SAFC Cat.no. W366609 |
| CAS Registry Number |
118-72-9 |
| 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 |
138.050321496 u |
| Formula |
C8H10S |
| InChI |
InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 |
| InChIKey |
QCLJODDRBGKIRW-UHFFFAOYSA-N |
| Molecular Weight |
138.228 g/mol |
| Number of Peaks |
50 |
| RI1 |
1183 |
| RI2 |
861 |
| RI3 |
1069 |
| RI4 |
1024 |
| SMILES |
Sc1c(cccc1C)C |
| SPLASH |
splash10-0a4r-6900000000-c010b92173589f348e68 |
| 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 |
Benzenethiol, 2,6-dimethyl- |
| Wiley ID |
LM_FFNSC3_253 |
