| SpectraBase Spectrum ID |
9FX7BXb1h2D |
| Name |
2-ketoadipic acid, 2TMS, 1MEOX |
| Alternate Name(s) |
2-Oxoadipate, 2TMS, 1MEOX
2-Oxoadipic acid, 2TMS, 1MEOX
2-ketoadipate, 2TMS, 1MEOX
2-keto-adipate, 2TMS, 1MEOX
alpha-ketodipate, 2TMS, 1MEOX
alpha-ketoadipate, 2TMS, 1MEOX
2-Oxohexanedioic acid, 2TMS, 1MEOX
2-Oxohexanedioic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 333.143); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000262; Note: The molecular formula of the structure shown is C6H8O5 - which differs from the formula reported for the mass spectrum (C13H27NO5Si2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H27NO5Si2 |
| 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 |
splash10-002k-3910000000-0cfdaf42bdc219a62e59 |
| Source of Spectrum |
FM-2019-262-0 |
| Wiley ID |
1817951 |
