| SpectraBase Spectrum ID |
pBvNVofPgV |
| Name |
Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3-13C)-, methyl ester, [S-(R*,R*)]- |
| Alternate Name(s) |
Methyl mandelate (2S)-[3-¹³C]isobutyrate |
| CAS Registry Number |
119089-58-6 |
| Comments |
Original formula: C12[13C]H16O4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-9(2)12(14)17-11(13(15)16-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m0/s1/i1+1/t9-,11- |
| InChIKey |
SKMZFNNBLCQUMV-USDJWSTHSA-N |
| Molecular Weight |
237.259 g/mol |
| SMILES |
[13CH3][C@](C(O[C@](C(=O)OC)(c1ccccc1)[H])=O)(C)[H] |
| SPLASH |
splash10-006x-9000000000-0333bc69d34286b2a405 |
| Source of Spectrum |
KC-1988-3205-0 |
| Wiley ID |
1238147 |
![Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3-13C)-, methyl ester, [S-(R*,R*)]-](/api/spectrum/pBvNVofPgV/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-(2-methyl-1-oxopropoxy-3-13C)-, methyl ester, [S-(R*,R*)]-")
