| SpectraBase Spectrum ID |
39S0Ni1HTCB |
| Name |
(S)-Dimethyl 3-methyl-4-oxoheptanedioate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.099773610 u |
| Formula |
C10H16O5 |
| InChI |
InChI=1S/C10H16O5/c1-7(6-10(13)15-3)8(11)4-5-9(12)14-2/h7H,4-6H2,1-3H3/t7-/m0/s1 |
| InChIKey |
RRLLKVZRPDHZEZ-ZETCQYMHSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500861 |
| Molecular Weight |
216.233 g/mol |
| Optical Rotation |
[a]D = -5.6 (c = 0.18, CHCl3) |
| Quality |
58 |
| Reported Formula |
C10H16O5 |
| SMILES |
COC(C[C@@](C(CCC(=O)OC)=O)(C)[H])=O |
| SPLASH |
splash10-0a4i-9000000000-464771d96fcc2b49db0b |
| Source of Spectrum |
QE-21-SM10-5 (DOI: 10.1002/chem.201500861) |
| Wiley ID |
1906544 |
