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3-[(N-BOC-N-Tosylamino)methyl]heptyn-6-ene
SpectraBase Compound ID 5SRi2nVC4ro
InChI InChI=1S/C20H27NO4S/c1-7-9-10-17(8-2)15-21(19(22)25-20(4,5)6)26(23,24)18-13-11-16(3)12-14-18/h2,7,11-14,17H,1,9-10,15H2,3-6H3
InChIKey PRGUUIHQAXHOPB-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C20H27NO4S
Exact Mass 377.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2md79d6WcF6
Name 3-[(N-BOC-N-Tosylamino)methyl]heptyn-6-ene
Alternate Name(s) tert-Butyl 2-ethynyl-5-hexenyl[(4-methylphenyl)sulfonyl]carbamate
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Formula C20H27NO4S
InChI InChI=1S/C20H27NO4S/c1-7-9-10-17(8-2)15-21(19(22)25-20(4,5)6)26(23,24)18-13-11-16(3)12-14-18/h2,7,11-14,17H,1,9-10,15H2,3-6H3
InChIKey PRGUUIHQAXHOPB-UHFFFAOYSA-N
Molecular Weight 377.499 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)CC(C#C)CCC=C)(OC(C)(C)C)=O
SPLASH splash10-0536-4900000000-02bb69b64e65f2058858
Source of Spectrum J-58-5461-42
Wiley ID 1358237