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1-(Benzyloxycarbonyl)aminomethylpentyl Thioacetate
SpectraBase Compound ID G7kLpIjLVPe
InChI InChI=1S/C16H23NO3S/c1-3-4-10-15(21-13(2)18)11-17-16(19)20-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKey KVZFYIZFXTVLEV-UHFFFAOYSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H23NO3S
Exact Mass 309.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XcCNT60ve7
Name 1-(Benzyloxycarbonyl)aminomethylpentyl Thioacetate
Alternate Name(s) Ethanethioic acid S-[1-(benzyloxycarbonylaminomethyl)pentyl]ester Ethanethioic acid S-[1-(phenylmethoxycarbonylamino)hexan-2-yl]ester S-[1-(phenylmethoxycarbonylamino)hexan-2-yl]ethanethioate S-[1-({[(benzyloxy)carbonyl]amino}methyl)pentyl]ethanethioate Ethanethioic acid S-[1-(phenylmethoxycarbonylamino)hexan-2-yl] ester S-[1-(benzyloxycarbonylaminomethyl)pentyl] ethanethioate S-[1-(phenylmethoxycarbonylamino)hexan-2-yl] ethanethioate
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Formula C16H23NO3S
InChI InChI=1S/C16H23NO3S/c1-3-4-10-15(21-13(2)18)11-17-16(19)20-12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKey KVZFYIZFXTVLEV-UHFFFAOYSA-N
Molecular Weight 309.424 g/mol
SMILES N(C(=O)OCc1ccccc1)CC(SC(=O)C)CCCC
SPLASH splash10-0006-9000000000-5b3e3a62174b3e3e1cb4
Source of Spectrum C5-2004-279-7
Wiley ID 1616446