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3-Carbamoyl-2-methylbutane-1,3,4-triol 1-O-benzyl ether
SpectraBase Compound ID A0J5I03ztwt
InChI InChI=1S/C13H19NO4/c1-10(13(17,9-15)12(14)16)7-18-8-11-5-3-2-4-6-11/h2-6,10,15,17H,7-9H2,1H3,(H2,14,16)
InChIKey AHHGMZNHVBCWKQ-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdmQH43lQdM
Name 3-Carbamoyl-2-methylbutane-1,3,4-triol 1-O-benzyl ether
Alternate Name(s) 4-(benzyloxy)-2-hydroxy-2-(hydroxymethyl)-3-methylbutanamide
CAS Registry Number 59005-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-10(13(17,9-15)12(14)16)7-18-8-11-5-3-2-4-6-11/h2-6,10,15,17H,7-9H2,1H3,(H2,14,16)
InChIKey AHHGMZNHVBCWKQ-UHFFFAOYSA-N
Molecular Weight 253.298 g/mol
SMILES NC(C(CO)(C(COCc1ccccc1)C)O)=O
SPLASH splash10-0006-9400000000-5106f21f3b3acc607a2c
Source of Spectrum J-41-2474-0
Wiley ID 1256720