| SpectraBase Spectrum ID |
1oJ7kS8OgK2 |
| Name |
Butanedioic acid, 2-methyl-2-(2-propenyl)-, 1-ethyl ester, (.+-.)- |
| Alternate Name(s) |
(RS)-3-ethoxycarbonyl-3-methylhex-5-enoic acid
3-(ethoxycarbonyl)-3-methyl-5-hexenoic acid |
| CAS Registry Number |
113661-34-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-4-6-10(3,7-8(11)12)9(13)14-5-2/h4H,1,5-7H2,2-3H3,(H,11,12) |
| InChIKey |
KGYWMNSHFFQJGI-UHFFFAOYSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
OC(CC(C(=O)OCC)(CC=C)C)=O |
| SPLASH |
splash10-000i-9100000000-626498890c33dcdf7392 |
| Source of Spectrum |
KC-1987-1683-20 |
| Wiley ID |
1197463 |
