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(3S,5R)-3-(acetoxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 56zJWznJXkC
InChI InChI=1S/C21H26N2O5/c1-3-4-10-22-20(25)19-11-18(15-27-16(2)24)12-23(13-19)21(26)28-14-17-8-6-5-7-9-17/h1,5-9,18-19H,4,10-15H2,2H3,(H,22,25)/t18-,19+/m0/s1
InChIKey AIFYCLRORDHCKJ-RBUKOAKNSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSSn1i8gJg9
Name (3S,5R)-3-(acetoxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylic acid benzyl ester
Alternate Name(s) (3S,5R)-3-(acetyloxymethyl)-5-[(but-3-ynylamino)-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (3S,5R)-3-(acetyloxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate benzyl (3S,5R)-3-(acetoxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate benzyl (3S,5R)-3-(acetyloxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate
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Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-3-4-10-22-20(25)19-11-18(15-27-16(2)24)12-23(13-19)21(26)28-14-17-8-6-5-7-9-17/h1,5-9,18-19H,4,10-15H2,2H3,(H,22,25)/t18-,19+/m0/s1
InChIKey AIFYCLRORDHCKJ-RBUKOAKNSA-N
Molecular Weight 386.448 g/mol
SMILES N(C([C@]1(CN(C(OCc2ccccc2)=O)C[C@](C1)(COC(=O)C)[H])[H])=O)CCC#C
SPLASH splash10-0udl-0092000000-f3ad85cbee320d2e1306
Source of Spectrum K1-2001-1381-18
Wiley ID 814511