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Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester, [R*,S*-(E)]-
SpectraBase Compound ID DZ7eVxk1Qt7
InChI InChI=1S/C15H25NO3S/c1-4-5-6-7-8-9-13(20-15(18)16(2)3)12-10-14(17)19-11-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13+/m0/s1
InChIKey YRFHUHNHYCVKKC-AYSSICMYSA-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 CPfmMM0n1e6
Name Carbamothioic acid, dimethyl-, S-[1-(tetrahydro-5-oxo-3-furanyl)-2-octenyl]ester, [R*,S*-(E)]-
CAS Registry Number 113460-88-1
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(20-15(18)16(2)3)12-10-14(17)19-11-12/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13+/m0/s1
InChIKey YRFHUHNHYCVKKC-AYSSICMYSA-N
Molecular Weight 299.429 g/mol
SMILES C(S[C@@]([C@]1(CC(=O)OC1)[H])(\C=C\CCCCC)[H])(N(C)C)=O
SPLASH splash10-0a4i-0910000000-677d06c6a1ba5a2896cb
Source of Spectrum B-40-1244-31
Synonyms (1'S(*),2'E,3R(*))-3-[1'-(N,N-dimethylcarbamoylthio)oct-2'-enyl]butan-4-olide S-{(1R,2E)-1-[(3S)-5-oxotetrahydro-3-furanyl]-2-octenyl} dimethylthiocarbamate
Wiley ID 1301859