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(+)-MONASCUMIC-ACID;(+)-SYN-2-ISOBUTYL-4-METHYLAZETIDINE-2,4-DICARBOXYLIC-ACID
SpectraBase Compound ID 3paELrSw9S8
InChI InChI=1S/C10H17NO4/c1-6(2)4-10(8(14)15)5-9(3,11-10)7(12)13/h6,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)/t9-,10+/m1/s1
InChIKey DTLNBWQUOUXKIO-ZJUUUORDSA-N
Mol Weight 215.25 g/mol
Molecular Formula C10H17NO4
Exact Mass 215.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LWBPVfjRnr
Name (+)-syn-2-isobutyl-4-methylazetidine-2,4-dicarboxylic acid
Alternate Name(s) (+)-Monascumic Acid
Appearance Colorless needles
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Formula C10H17NO4
InChI InChI=1S/C10H17NO4/c1-6(2)4-10(8(14)15)5-9(3,11-10)7(12)13/h6,11H,4-5H2,1-3H3,(H,12,13)(H,14,15)/t9-,10+/m1/s1
InChIKey DTLNBWQUOUXKIO-ZJUUUORDSA-N
Instrument Name JEOL JMS-BU20
Ionization Type EI
Literature Reference DOI 10.1021/np030394i
Molecular Weight 215.249 g/mol
Optical Rotation [a]D25 = +3.7 (c = 0.39, acetone)
Reported Formula C10H17NO4
SMILES N1[C@@](C[C@@]1(C(=O)O)C)(C(O)=O)CC(C)C
SPLASH splash10-0fe0-7900000000-777f2555736ee6a92135
Source of Spectrum G4-67-480-1
Wiley ID 1881686