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2-(morpholine-4-carbothioylsulfanyl)propanoic acid
SpectraBase Compound ID FMGwLZTJjxT
InChI InChI=1S/C8H13NO3S2/c1-6(7(10)11)14-8(13)9-2-4-12-5-3-9/h6H,2-5H2,1H3,(H,10,11)
InChIKey RABIBPKBSIYLFA-UHFFFAOYSA-N
Mol Weight 235.32 g/mol
Molecular Formula C8H13NO3S2
Exact Mass 235.033686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F748VXmmSNt
Name 2-(morpholine-4-carbothioylsulfanyl)propanoic acid
CAS Registry Number 100515-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO3S2
InChI InChI=1S/C8H13NO3S2/c1-6(7(10)11)14-8(13)9-2-4-12-5-3-9/h6H,2-5H2,1H3,(H,10,11)
InChIKey RABIBPKBSIYLFA-UHFFFAOYSA-N
Molecular Weight 235.316 g/mol
SMILES OC(C(SC(N1CCOCC1)=S)C)=O
SPLASH splash10-01q0-5910000000-7080d90107a664ae7f26
Source of Spectrum K-119-2099-3
Synonyms 2-(morpholine-4-carbothioylthio)propionic acid 2-morpholin-4-ylcarbothioylsulfanylpropanoic acid 2-[[4-morpholinyl(sulfanylidene)methyl]thio]propanoic acid
Wiley ID 1236829