| SpectraBase Spectrum ID |
C1duEEOcyLK |
| Name |
Thujaplicin |
| CAS Registry Number |
1946-74-3 |
| 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/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey |
TUFYVOCKVJOUIR-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Number of Peaks |
50 |
| RI1 |
1412 |
| SMILES |
OC=1C(=O)C=CC=CC1C(C)C |
| SPLASH |
splash10-01ot-4900000000-34fcdf5e3b1f765d4c19 |
| 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-3-(1-methylethyl)- |
| Wiley ID |
LM_FFNSC3_2672 |
