| SpectraBase Spectrum ID |
2sme8W2t5yH |
| Name |
Thujyl acetate |
| CAS Registry Number |
72747-24-1 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10-,11+,12+/m1/s1 |
| InChIKey |
RYMWIDNPMDLHRP-YJQGPUDQSA-N |
| Molecular Weight |
196.290 g/mol |
| Number of Peaks |
49 |
| RI1 |
1298 |
| SMILES |
C[C@@]1([C@]2(C[C@]2(C[C@@]1(OC(C)=O)[H])C(C)C)[H])[H] |
| SPLASH |
splash10-0006-9200000000-172ee1ada05f46907134 |
| 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-ol, 4-methyl-1-(1-methylethyl)-, 3-acetate |
| Wiley ID |
LM_FFNSC3_2506 |
