| SpectraBase Spectrum ID |
DCX4WyBj0Ix |
| Name |
(R*,S*)-4,5-dimethyl-2,3,6-heptanetrione / isomer 2 |
| Alternate Name(s) |
(4R,5S)-4,5-dimethyl-2,3,6-heptanetrione |
| CAS Registry Number |
131251-07-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-5(7(3)10)6(2)9(12)8(4)11/h5-6H,1-4H3/t5-,6+/m0/s1 |
| InChIKey |
XLHLJIDEHJSKET-NTSWFWBYSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C([C@@]([C@@](C(=O)C)(C)[H])(C)[H])(C(=O)C)=O |
| SPLASH |
splash10-0006-9000000000-9de7ce1ae14cfe1f4967 |
| Source of Spectrum |
K-124-955-18 |
| Wiley ID |
1166639 |
