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N-acetyl-beta-alanine, 1TMS
SpectraBase Compound ID 3FlS1wWsaA4
InChI InChI=1S/C8H17NO3Si/c1-7(10)9-6-5-8(11)12-13(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKey IRDMKLNLBHOFTE-UHFFFAOYSA-N
Mol Weight 203.31 g/mol
Molecular Formula C8H17NO3Si
Exact Mass 203.09777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4RLouMtFOx
Name N-acetyl-beta-alanine, 1TMS
Comments Derivatization type: 1 TMS (mass: 203.098); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000680; Note: The molecular formula of the structure shown is C5H9NO3 - which differs from the formula reported for the mass spectrum (C8H17NO3Si)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H17NO3Si
InChI InChI=1S/C8H17NO3Si/c1-7(10)9-6-5-8(11)12-13(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKey IRDMKLNLBHOFTE-UHFFFAOYSA-N
Molecular Weight 203.313 g/mol
SMILES N(CCC(=O)O[Si](C)(C)C)C(C)=O
SPLASH splash10-00p0-2900000000-9c661887d9223e8ca5f1
Source of Spectrum FM-2019-680-0
Synonyms N-Acetyl-beta-alanine, 1TMS 3-Acetamidopropanoic acid, 1TMS 3-(acetylamino)propanoic acid, 1TMS CHEBI:16682, 1TMS NSC32039, 1TMS EINECS 221-185-6, 1TMS 3-Acetamidopropanoic acid, 1TMS Trimethylsilyl 3-acetamidopropanoate
Wiley ID 1818358