| SpectraBase Spectrum ID |
KWfB6RsM5Nf |
| Name |
Hexanedioic acid, 3,4-dimethyl-, monoethyl ester, (R*,S*)-(.+-.)- |
| CAS Registry Number |
81472-23-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H18O4 |
| InChI |
InChI=1S/C10H18O4/c1-4-14-10(13)6-8(3)7(2)5-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8+/m0/s1 |
| InChIKey |
SMZODWMCRSXUJR-JGVFFNPUSA-N |
| Molecular Weight |
202.250 g/mol |
| SMILES |
OC(C[C@@]([C@@](CC(=O)OCC)(C)[H])(C)[H])=O |
| SPLASH |
splash10-014i-9100000000-6c0da5314bb883b0b5da |
| Source of Spectrum |
KC-1983-958-0 |
| Synonyms |
(3S,4R)-6-ethoxy-3,4-dimethyl-6-oxohexanoic acid
Ethyl (3SR,4RS)-5-carboxy-3,4-dimethylpentanoate |
| Wiley ID |
1199466 |
