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Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester
SpectraBase Compound ID IbXsGg04tZA
InChI InChI=1S/C15H25NO3S/c1-4-5-6-7-8-9-13(19-15(20)16(2)3)12-10-14(17)18-11-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13?/m0/s1
InChIKey SYTOLTVOMKZOBR-DDXOBNCNSA-N
Mol Weight 299.43 g/mol
Molecular Formula C15H25NO3S
Exact Mass 299.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64I1fJdPxlj
Name Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester
CAS Registry Number 113460-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO3S
InChI InChI=1S/C15H25NO3S/c1-4-5-6-7-8-9-13(19-15(20)16(2)3)12-10-14(17)18-11-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13?/m0/s1
InChIKey SYTOLTVOMKZOBR-DDXOBNCNSA-N
Molecular Weight 299.429 g/mol
SMILES C(OC([C@]1(CC(=O)OC1)[H])\C=C\CCCCC)(=S)N(C)C
SPLASH splash10-00di-9000000000-8166d2ddb7190904b1f8
Source of Spectrum B-40-1245-35
Synonyms (2'Z)-3-[1'-(N,N-dimethylcarbamoylthio)oct-2'-enylbutan-4-olide O-{(2E)-1-[(3S)-5-oxotetrahydro-3-furanyl]-2-octenyl} dimethylthiocarbamate
Wiley ID 1301861