| SpectraBase Spectrum ID |
GtJ53MhKgNV |
| Name |
Isomenthyl acetate |
| Source of Sample |
SAFC Cat.no. W284823 |
| CAS Registry Number |
20777-45-1 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m0/s1 |
| InChIKey |
XHXUANMFYXWVNG-ZMLRMANQSA-N |
| Molecular Weight |
198.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
1305 |
| RI2 |
983 |
| SMILES |
C1[C@](CC[C@]([C@@]1(OC(C)=O)[H])(C(C)C)[H])(C)[H] |
| SPLASH |
splash10-000w-9100000000-615822ee8f10c46f0cfa |
| 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 |
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5S)- |
| Wiley ID |
LM_FFNSC3_1087 |
