| SpectraBase Spectrum ID |
LgZ4tw28e |
| Name |
Butanoic acid, 2-methyl-4-methylhexyl ester- |
| CAS Registry Number |
850309-46-5 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| 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/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey |
JIRUNGNWQRCSRR-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Nominal Mass |
200 u |
| Number of Peaks |
90 |
| SMILES |
C(C(CC)C)(=O)OCCCC(CC)C |
| SPLASH |
splash10-0a4l-9100000000-7268cc89a2ee9a836748 |
| Source |
ex VASU DEV |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001452 |
