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Carbamothioic acid, dimethyl-, S-[3-(tetrahydro-5-oxo-3-furanyl)-1-octenyl]ester, [R*,R*-(E)]-
SpectraBase Compound ID 1RAPQlyfxTk
InChI InChI=1S/C15H25NO3S/c1-4-5-6-7-12(13-10-14(17)19-11-13)8-9-20-15(18)16(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13-/m0/s1
InChIKey RSYQZRSTMMYUFV-TYDXBBDOSA-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 9ZjFxCn4TyX
Name Carbamothioic acid, dimethyl-, S-[3-(tetrahydro-5-oxo-3-furanyl)-1-octenyl]ester, [R*,R*-(E)]-
CAS Registry Number 113460-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25NO3S
InChI InChI=1S/C15H25NO3S/c1-4-5-6-7-12(13-10-14(17)19-11-13)8-9-20-15(18)16(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3/b9-8+/t12-,13-/m0/s1
InChIKey RSYQZRSTMMYUFV-TYDXBBDOSA-N
Molecular Weight 299.429 g/mol
SMILES C(N(C)C)(S\C=C\[C@@]([C@]1(CC(=O)OC1)[H])(CCCCC)[H])=O
SPLASH splash10-00di-9200000000-555fc97209772d90d2e3
Source of Spectrum B-40-1244-33
Synonyms (1'R(*),2'E,3R(*))-3-[3'-(N,N-dimethylcarbamylthio)-1'-pentylprop-2'-enyl]butan-4-olide S-{(1E,3R)-3-[(3R)-5-oxotetrahydro-3-furanyl]-1-octenyl} dimethylthiocarbamate
Wiley ID 1301857