| SpectraBase Spectrum ID |
EMsP7fpbUr6 |
| Name |
Isopulegyl acetate |
| CAS Registry Number |
109010-12-0 |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12+/m1/s1 |
| InChIKey |
HLHIVJRLODSUCI-USWWRNFRSA-N |
| Molecular Weight |
196.290 g/mol |
| Nominal Mass |
196 u |
| Number of Peaks |
129 |
| SMILES |
CC(=O)O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(=C)C)[H])[H] |
| SPLASH |
splash10-0006-9300000000-754d9ece323c32709923 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000783 |
