| SpectraBase Spectrum ID |
AD3l95vJNUH |
| Name |
2-ketoadipic acid, 1TMS |
| Alternate Name(s) |
2-Oxoadipate, 1TMS
2-Oxoadipic acid, 1TMS
2-ketoadipate, 1TMS
2-keto-adipate, 1TMS
alpha-ketodipate, 1TMS
alpha-ketoadipate, 1TMS
2-Oxohexanedioic acid, 1TMS
2-Oxohexanedioic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 232.077); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000263; Note: The molecular formula of the structure shown is C6H8O5 - which differs from the formula reported for the mass spectrum (C9H16O5Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H16O5Si |
| InChI |
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) |
| InChIKey |
FGSBNBBHOZHUBO-UHFFFAOYSA-N |
| Molecular Weight |
160.125 g/mol |
| SMILES |
OC(C(CCCC(=O)O)=O)=O |
| SPLASH |
splash10-0udr-6900000000-ce1d0183ec90a213e892 |
| Source of Spectrum |
FM-2019-263-0 |
| Wiley ID |
1817952 |
