| SpectraBase Spectrum ID |
9jJoLnImC4r |
| Name |
allantoic acid, 4TMS |
| Alternate Name(s) |
Allantoic acid, 4TMS
allantoate, 4TMS
Diureidoacetic acid, 4TMS
bis(carbamoylamino)acetic acid, 4TMS
A7753_SIGMA, 4TMS
CHEBI:30837, 4TMS
2,2-bis(carbamoylamino)acetic acid, 4TMS
2,2-Diureidoacetic acid |
| Comments |
Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 464.213); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001012; Note: The molecular formula of the structure shown is C4H8N4O4 - which differs from the formula reported for the mass spectrum (C16H40N4O4Si4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H40N4O4Si4 |
| InChI |
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) |
| InChIKey |
NUCLJNSWZCHRKL-UHFFFAOYSA-N |
| Molecular Weight |
176.132 g/mol |
| SMILES |
OC(C(NC(=O)N)NC(=O)N)=O |
| SPLASH |
splash10-0uej-0911000000-0d2c65de902ef094c22d |
| Source of Spectrum |
FM-2019-1012-0 |
| Wiley ID |
1818671 |
