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Dimethyl (Z)-(2R,7R)-2,7-diamino-4-( 2'-thienyl)-4-octenedioate
SpectraBase Compound ID CvDjP2PoGsc
InChI InChI=1S/C14H20N2O4S/c1-19-13(17)10(15)6-5-9(12-4-3-7-21-12)8-11(16)14(18)20-2/h3-5,7,10-11H,6,8,15-16H2,1-2H3/b9-5-/t10-,11-/m1/s1
InChIKey HJGQWMXSDCPOEI-XFDQCWFDSA-N
Mol Weight 312.38 g/mol
Molecular Formula C14H20N2O4S
Exact Mass 312.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiWIV0PKRM9
Name Dimethyl (Z)-(2R,7R)-2,7-diamino-4-( 2'-thienyl)-4-octenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O4S
InChI InChI=1S/C14H20N2O4S/c1-19-13(17)10(15)6-5-9(12-4-3-7-21-12)8-11(16)14(18)20-2/h3-5,7,10-11H,6,8,15-16H2,1-2H3/b9-5-/t10-,11-/m1/s1
InChIKey HJGQWMXSDCPOEI-XFDQCWFDSA-N
Molecular Weight 312.384 g/mol
SMILES N[C@](C\C=C\(C[C@](C(=O)OC)(N)[H])c1sccc1)(C(=O)OC)[H]
SPLASH splash10-000i-9431000000-05cfe68bafaa243fc434
Source of Spectrum SB-51-951-20
Synonyms Dimethyl (2R,4Z,7R)-2,7-diamino-4-(2-thienyl)-4-octenedioate
Wiley ID 1312963