| SpectraBase Spectrum ID |
9exZxKHqZXt |
| Name |
2-allyl-2-methyl-butanedioic acid |
| Alternate Name(s) |
2-allyl-2-methyl-succinic acid
2-methyl-2-prop-2-enyl-butanedioic acid |
| CAS Registry Number |
113661-33-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H12O4 |
| InChI |
InChI=1S/C8H12O4/c1-3-4-8(2,7(11)12)5-6(9)10/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12) |
| InChIKey |
FNZBRJIFXCWRFS-UHFFFAOYSA-N |
| Molecular Weight |
172.180 g/mol |
| SMILES |
OC(C(CC(=O)O)(CC=C)C)=O |
| SPLASH |
splash10-004i-0900000000-bb6cf1914c43857087b6 |
| Source of Spectrum |
KC-1987-1683-18 |
| Wiley ID |
1168487 |
