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L-Isoleucine, 4,5-dihydroxy-4-methyl-
SpectraBase Compound ID GcDS3kl47m
InChI InChI=1S/C7H15NO4/c1-4(5(8)6(10)11)7(2,12)3-9/h4-5,9,12H,3,8H2,1-2H3,(H,10,11)/t4-,5+,7?/m1/s1
InChIKey NEZAADBOCPFLQQ-GXFGBBIGSA-N
Mol Weight 177.2 g/mol
Molecular Formula C7H15NO4
Exact Mass 177.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WzeyNKg3pC
Name L-Isoleucine, 4,5-dihydroxy-4-methyl-
Alternate Name(s) 2-Amino-2,3-dideoxy-3-methyl-4-C-methyl-L-erythro-pentonic acid
CAS Registry Number 69597-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H15NO4
InChI InChI=1S/C7H15NO4/c1-4(5(8)6(10)11)7(2,12)3-9/h4-5,9,12H,3,8H2,1-2H3,(H,10,11)/t4-,5+,7?/m1/s1
InChIKey NEZAADBOCPFLQQ-GXFGBBIGSA-N
Molecular Weight 177.200 g/mol
SMILES OC([C@]([C@](C(CO)(O)C)(C)[H])(N)[H])=O
SPLASH splash10-0a4u-9100000000-d778b842d803f7474e30
Source of Spectrum W5-1989-5646-0
Wiley ID 1172992