| SpectraBase Spectrum ID |
t8LPz55JKf |
| Name |
Thujic acid |
| CAS Registry Number |
499-89-8 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey |
JHHXPQAUADQJBQ-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Number of Peaks |
50 |
| RI1 |
1382 |
| SMILES |
OC(C1=CC=CC(C)(C)C=C1)=O |
| SPLASH |
splash10-052e-8900000000-fb483cb98fec8eb9429d |
| 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 |
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2317 |
