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(-)-MONASCUMIC-ACID;(-)-SYN-2-ISOBUTYL-4-METHYLAZETIDINE-2,4-DICARBOXYLIC-ACID
SpectraBase Compound ID KLGESoJDf3w
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+/m0/s1
InChIKey DTLNBWQUOUXKIO-VHSXEESVSA-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 HcurBb9Mgtc
Name (-)-syn-2-isobutyl-4-methylazetidine-2,4-dicarboxylic 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+/m0/s1
InChIKey DTLNBWQUOUXKIO-VHSXEESVSA-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 = -4.4 (c = 0.36, acetone)
Reported Formula C10H17NO4
SMILES N1[C@@](C[C@]1(C(O)=O)C)(CC(C)C)C(=O)O
SPLASH splash10-0fe0-4900000000-4fad7114344ea5edd615
Source of Spectrum G4-67-480-2
Synonyms (-)-Monascumic Acid
Wiley ID 1881687