| SpectraBase Spectrum ID |
5LCcJrQkLLj |
| Name |
Thujone |
| CAS Registry Number |
546-80-5 |
| 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 |
152.120115134 u |
| Formula |
C10H16O |
| InChI |
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
| InChIKey |
USMNOWBWPHYOEA-MRTMQBJTSA-N |
| Molecular Weight |
152.237 g/mol |
| Number of Peaks |
50 |
| RI1 |
1100 |
| RI2 |
775 |
| SMILES |
[C@@]12([C@@]([C@](C(C2)=O)(C)[H])(C1)[H])C(C)C |
| SPLASH |
splash10-015c-9100000000-7050259cdacfbbe3655e |
| 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 |
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- |
| Wiley ID |
LM_FFNSC3_1020 |
