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iminodiacetic acid, 3TMS
SpectraBase Compound ID AlSKLTNT5gS
InChI InChI=1S/C13H31NO4Si3/c1-19(2,3)14(10-12(15)17-20(4,5)6)11-13(16)18-21(7,8)9/h10-11H2,1-9H3
InChIKey WUDZWKFXCJLXOX-UHFFFAOYSA-N
Mol Weight 349.65 g/mol
Molecular Formula C13H31NO4Si3
Exact Mass 349.156088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B09z7n5mZS0
Name iminodiacetic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 349.156); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000451; Note: The molecular formula of the structure shown is C4H7NO4 - which differs from the formula reported for the mass spectrum (C13H31NO4Si3)
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Formula C13H31NO4Si3
InChI InChI=1S/C13H31NO4Si3/c1-19(2,3)14(10-12(15)17-20(4,5)6)11-13(16)18-21(7,8)9/h10-11H2,1-9H3
InChIKey WUDZWKFXCJLXOX-UHFFFAOYSA-N
Molecular Weight 349.649 g/mol
SMILES C(C(=O)O[Si](C)(C)C)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-001i-1960000000-0072183e32c74e62a60b
Source of Spectrum FM-2019-451-0
Synonyms Diglykokoll, 3TMS Diglycin, 3TMS Diglycine, 3TMS Diglycocoll, 3TMS Hampshire, 3TMS Aminodiacetic acid, 3TMS 2-(carboxymethylamino)acetic acid, 3TMS bis(trimethylsilyl) 2,2'-((trimethylsilyl)azanediyl)diacetate
Wiley ID 1818138