| SpectraBase Spectrum ID |
EMxM40hNt0d |
| Name |
Benzyl (2S,3R)-[1,2,3,4-13C(4),2,4-(2)H2]butanoate |
| Alternate Name(s) |
benzyl (3R)-3-hydroxybutanoate-1,2,3,4-13C4-2,4-d2 |
| Comments |
Original formula: C7[13C]4H12D2O3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-/m1/s1/i1+1D,7+1D,9+1,11+1/t7?,9- |
| InChIKey |
VIQYYDLSPZAIJW-DHWQLZJISA-N |
| Literature Reference DOI |
10.1002_1522-2675(20010613)84_6_1821 |
| Molecular Weight |
200.212 g/mol |
| SMILES |
[13CH2]([13C@]([H])([13CH]([13C](OCc1ccccc1)=O)[2H])O)[2H] |
| SPLASH |
splash10-0a4l-6910000000-78e760b3f755383525f0 |
| Source of Spectrum |
H-84-1842-9 |
| Wiley ID |
1787552 |
![Benzyl (2S,3R)-[1,2,3,4-13C(4),2,4-(2)H2]butanoate](/api/spectrum/EMxM40hNt0d/structure.png?h=300&w=458 "Benzyl (2S,3R)-[1,2,3,4-13C(4),2,4-(2)H2]butanoate")
