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Fumaric acid, monomethyl ester, {(7S)10,10-dimethyl-5-thia-4-azatricyclo[5.2.1.0(3,7)]decane-5,5-dioxo}amide
SpectraBase Compound ID HoB51e8AIUa
InChI InChI=1S/C15H21NO5S/c1-14(2)10-6-7-15(14)9-22(19,20)16(11(15)8-10)12(17)4-5-13(18)21-3/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,15-/m1/s1
InChIKey ASQBHBGLTPTXJG-KQQYFAROSA-N
Mol Weight 327.4 g/mol
Molecular Formula C15H21NO5S
Exact Mass 327.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En6LnfCwFtW
Name Fumaric acid, monomethyl ester, {(7S)10,10-dimethyl-5-thia-4-azatricyclo[5.2.1.0(3,7)]decane-5,5-dioxo}amide
CAS Registry Number 212690-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO5S
InChI InChI=1S/C15H21NO5S/c1-14(2)10-6-7-15(14)9-22(19,20)16(11(15)8-10)12(17)4-5-13(18)21-3/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,15-/m1/s1
InChIKey ASQBHBGLTPTXJG-KQQYFAROSA-N
Molecular Weight 327.395 g/mol
SMILES C1S(=O)(N([C@]2([C@@]11CC[C@](C2)(C1(C)C)[H])[H])C(=O)\C=C\C(=O)OC)=O
SPLASH splash10-03di-6920000000-98e4dc2babed97ae4af9
Synonyms Fumarsaeure, monomethylester, {(7S)10,10-dimethyl-5-thia-4-azatricyclo[5.2.1.0e3 Fumarsaeure, monomethylester, {(7S)10,10-dimethyl-5-thia-4-azatricyclo[5.2.1.0e3,7]decan-5,5-dioxo}amid Methyl (2E)-4-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-4-oxo-2-butenoate
Wiley ID 1502384