| SpectraBase Spectrum ID |
20usbtOLL6 |
| Name |
Methyl eperuate |
| CAS Registry Number |
13008-80-5 |
| 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 |
320.271530397 u |
| Formula |
C21H36O2 |
| 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/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h15,17-18H,2,7-14H2,1,3-6H3/t15-,17+,18+,21-/m0/s1 |
| InChIKey |
AOKUBKCGRXTZDV-VZRKHXGSSA-N |
| Molecular Weight |
320.517 g/mol |
| Nominal Mass |
320 u |
| Number of Peaks |
112 |
| SMILES |
[C@@]12(C)[C@@](C(C)(C)CCC2)(CCC([C@]1(CC[C@@](CC(OC)=O)(C)[H])[H])=C)[H] |
| SPLASH |
splash10-0ap0-9600000000-4f2557e92d7c341b7244 |
| Source |
ex JOAQUIN ALTAREJOS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000943 |
