| SpectraBase Spectrum ID |
1ftWZY1MMS |
| Name |
Methyl butanoate, 3-methyl-3-butenyl<3-> |
| CAS Registry Number |
54410-94-5 |
| 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 |
170.130679818 u |
| Formula |
C10H18O2 |
| 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/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3 |
| InChIKey |
TYOOXFQTUDXXCL-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| Nominal Mass |
170 u |
| Number of Peaks |
49 |
| SMILES |
C(OCCC(C)=C)(CC(C)C)=O |
| SPLASH |
splash10-014l-9000000000-cc53a39d3a31491e34e1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001869 |
