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Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester, [R*,R*-(E)]-
SpectraBase Compound ID KXLxOdPi8eI
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-/m1/s1
InChIKey SYTOLTVOMKZOBR-RYYBZQDPSA-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 IzxlO5Eq9Kl
Name Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester, [R*,R*-(E)]-
CAS Registry Number 113460-87-0
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-/m1/s1
InChIKey SYTOLTVOMKZOBR-RYYBZQDPSA-N
Molecular Weight 299.429 g/mol
SMILES C(O[C@@]([C@@]1(CC(=O)OC1)[H])(\C=C\CCCCC)[H])(=S)N(C)C
SPLASH splash10-00di-9100000000-0ed7813d8f2a0ff96140
Source of Spectrum B-40-1244-30
Synonyms (1'R(*),2'E,3R(*))-3-[1'-(N,N-dimethylcarbamoylthio)oct-2'-enyl]butan-4-olide O-{(1R,2E)-1-[(3R)-5-oxotetrahydro-3-furanyl]-2-octenyl} dimethylthiocarbamate
Wiley ID 1301858