| SpectraBase Spectrum ID |
G5oQOJDt8H7 |
| Name |
Isophorone <2-hydroxy-> |
| Source of Sample |
SAFC Cat.no. W355305 |
| CAS Registry Number |
4883-60-7 |
| 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 |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3 |
| InChIKey |
DWGZTTFGUFHAJX-UHFFFAOYSA-N |
| Molecular Weight |
154.209 g/mol |
| Number of Peaks |
50 |
| RI1 |
1146 |
| RI2 |
823 |
| RI3 |
1062 |
| RI4 |
1019 |
| RI5 |
1124 |
| SMILES |
OC1=C(CC(CC1=O)(C)C)C |
| SPLASH |
splash10-0fkc-9300000000-f1249425ebb37019fd86 |
| 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 |
Cyclohex-2-en-1-one, 2-hydroxy-, 3,5,5-trimethyl- |
| Wiley ID |
LM_FFNSC3_1632 |
