| SpectraBase Spectrum ID |
CSphhBhBZ7O |
| Name |
Benzenebutanoic-carboxy,.gamma.-13C2 acid, .gamma.-oxo- |
| CAS Registry Number |
67519-26-0 |
| Comments |
Original formula: C8[13C]2H10O3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10O3 |
| InChI |
InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/i9+1,10+1 |
| InChIKey |
KMQLIDDEQAJAGJ-OJJJIBSVSA-N |
| Molecular Weight |
180.172 g/mol |
| SMILES |
O[13C](CC[13C](=O)c1ccccc1)=O |
| SPLASH |
splash10-0a6r-9800000000-7bd6277d76b836480b02 |
| Source of Spectrum |
H-61-1750-0 |
| Synonyms |
1,4-[¹³C]-4-oxo-4-phenylbutanoic acid |
| Wiley ID |
1173909 |
