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(2R,3S,6R)-N-tosyl-2-(3'-acetoxypropyl)-3-benzoyl-6-ethoxy-.delta.-4-piperidine
SpectraBase Compound ID 6RMvU4OxvrH
InChI InChI=1S/C26H31NO7S/c1-4-32-25-17-16-24(34-26(29)21-9-6-5-7-10-21)23(11-8-18-33-20(3)28)27(25)35(30,31)22-14-12-19(2)13-15-22/h5-7,9-10,12-17,23-25H,4,8,11,18H2,1-3H3/t23-,24+,25-/m1/s1
InChIKey DVKYMUIQHNNYLA-DSNGMDLFSA-N
Mol Weight 501.59 g/mol
Molecular Formula C26H31NO7S
Exact Mass 501.182124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OBscTPS7Nv
Name (2R,3S,6R)-N-tosyl-2-(3'-acetoxypropyl)-3-benzoyl-6-ethoxy-.delta.-4-piperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO7S
InChI InChI=1S/C26H31NO7S/c1-4-32-25-17-16-24(34-26(29)21-9-6-5-7-10-21)23(11-8-18-33-20(3)28)27(25)35(30,31)22-14-12-19(2)13-15-22/h5-7,9-10,12-17,23-25H,4,8,11,18H2,1-3H3/t23-,24+,25-/m1/s1
InChIKey DVKYMUIQHNNYLA-DSNGMDLFSA-N
Molecular Weight 501.594 g/mol
SMILES [C@]1(N(S(c2ccc(C)cc2)(=O)=O)[C@@]([C@](C=C1)(OC(c1ccccc1)=O)[H])(CCCOC(C)=O)[H])(OCC)[H]
SPLASH splash10-0a4i-2901000000-3404030dae9a594a3da3
Source of Spectrum CJC-16-42-13
Synonyms (2R,3S,6R)-2-(3-acetoxypropyl)-6-ethoxy-1-tosyl-1,2,3,6-tetrahydropyridin-3-yl benzoate
Wiley ID 1773333