| SpectraBase Spectrum ID |
HqkyEaxht0Q |
| Name |
Pentanoic acid, 2-propyl- (D14) |
| Alternate Name(s) |
2-n-Propyl-n-valeric acid (D14)
Valeric acid, 2-propyl- (D14) |
| CAS Registry Number |
99-66-1 |
| Comments |
Note: The molecular formula of the structure shown is C8H16O2 - which differs from the formula reported for the mass spectrum (C8H2D14O2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H2D14O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey |
NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| SMILES |
OC(C(CCC)CCC)=O |
| SPLASH |
splash10-01t9-9500000000-074e04fdf444806523c4 |
| Source of Spectrum |
KO-7-1665-1 |
| Wiley ID |
1142612 |
