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N-carbamoylaspartate, 3TMS
SpectraBase Compound ID 3HG1OA0JjC8
InChI InChI=1S/C14H32N2O5Si3/c1-22(2,3)16-14(19)15-11(13(18)21-24(7,8)9)10-12(17)20-23(4,5)6/h11H,10H2,1-9H3,(H2,15,16,19)
InChIKey ZFBDAZZQZDNIMF-UHFFFAOYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C14H32N2O5Si3
Exact Mass 392.161902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MIk3vi8qz0
Name N-carbamoylaspartate, 3TMS
Comments Derivatization type: 3 TMS (mass: 392.162); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000406; Note: The molecular formula of the structure shown is C5H8N2O5 - which differs from the formula reported for the mass spectrum (C14H32N2O5Si3)
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Formula C14H32N2O5Si3
InChI InChI=1S/C14H32N2O5Si3/c1-22(2,3)16-14(19)15-11(13(18)21-24(7,8)9)10-12(17)20-23(4,5)6/h11H,10H2,1-9H3,(H2,15,16,19)
InChIKey ZFBDAZZQZDNIMF-UHFFFAOYSA-N
Molecular Weight 392.674 g/mol
SMILES N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(N[Si](C)(C)C)=O
SPLASH splash10-03xr-0900000000-2a45f3143760d59df65d
Source of Spectrum FM-2019-406-0
Synonyms Ureidosuccinic acid, 3TMS Ureidosuccinate, 3TMS L-Ureidosuccinate, 3TMS Carbamyl-aspartate, 3TMS Carbamoyl-aspartate, 3TMS Carbamyul-aspartate, 3TMS 2-(carbamoylamino)butanedioic acid, 3TMS bis(trimethylsilyl) ((trimethylsilyl)carbamoyl)aspartate
Wiley ID 1818093