| SpectraBase Spectrum ID |
3mrqfwWXAG |
| Name |
[2-(13)C]-3-methyl-5,5-dimethoxypentane-1,3-diol-1-acetate |
| Alternate Name(s) |
3-Hydroxy-5,5-dimethoxy-3-methylpentyl-2-¹³C acetate |
| Comments |
Original formula: C9[13C]H20O5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H20O5 |
| InChI |
InChI=1S/C10H20O5/c1-8(11)15-6-5-10(2,12)7-9(13-3)14-4/h9,12H,5-7H2,1-4H3/i5+1 |
| InChIKey |
MROYAJWEURPYDO-HOSYLAQJSA-N |
| Literature Reference DOI |
10.1002/cbic.201402298 |
| Molecular Weight |
221.257 g/mol |
| SMILES |
OC([13CH2]COC(=O)C)(CC(OC)OC)C |
| SPLASH |
splash10-002f-9200000000-0a114a31fbc4a66fc306 |
| Source of Spectrum |
CBC-15-2379/SM21-32 |
| Wiley ID |
1786838 |
![[2-(13)C]-3-methyl-5,5-dimethoxypentane-1,3-diol-1-acetate](/api/spectrum/3mrqfwWXAG/structure.png?h=300&w=458 "[2-(13)C]-3-methyl-5,5-dimethoxypentane-1,3-diol-1-acetate")
