| SpectraBase Spectrum ID |
D0TDwzQf8Lt |
| Name |
Xylenol <1,3,5-> |
| Source of Sample |
SAFC Cat.no. D175706 |
| CAS Registry Number |
108-68-9 |
| 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 |
122.073164941 u |
| Formula |
C8H10O |
| InChI |
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3 |
| InChIKey |
TUAMRELNJMMDMT-UHFFFAOYSA-N |
| Molecular Weight |
122.167 g/mol |
| Number of Peaks |
50 |
| RI1 |
1178 |
| RI2 |
856 |
| RI3 |
1553 |
| RI4 |
1514 |
| RI5 |
1156 |
| SMILES |
Oc1cc(cc(c1)C)C |
| SPLASH |
splash10-05fr-5900000000-4a3448d22c645b11c20b |
| 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 |
Phenol, 3,5-dimethyl- |
| Wiley ID |
LM_FFNSC3_140 |
