SpectraBase Spectrum ID |
LgDDtmVQkbi |
Name |
Menthyl acetate |
CAS Registry Number |
89-48-5 |
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 |
198.161979946 u |
Formula |
C12H22O2 |
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/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-/m1/s1 |
InChIKey |
XHXUANMFYXWVNG-ADEWGFFLSA-N |
Molecular Weight |
198.306 g/mol |
Nominal Mass |
198 u |
Number of Peaks |
113 |
SMILES |
CC(C)[C@]1([C@](OC(C)=O)(C[C@@](CC1)(C)[H])[H])[H] |
SPLASH |
splash10-000y-9100000000-f5ce2316d254aeb1a116 |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA000915 |