For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[2-(6-Phenylsulfonylamido-1,2-benzisoxazol-3-yl)ethyl]-1-piperidinecarboxylic acid 1-(1,1-Dimethylethyl) ester
SpectraBase Compound ID Frcn9DMqo7y
InChI InChI=1S/C25H31N3O5S/c1-25(2,3)32-24(29)28-15-13-18(14-16-28)9-12-22-21-11-10-19(17-23(21)33-26-22)27-34(30,31)20-7-5-4-6-8-20/h4-8,10-11,17-18,27H,9,12-16H2,1-3H3
InChIKey RHFKADKEGALJNF-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C25H31N3O5S
Exact Mass 485.198442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BMGqfdiiw64
Name 4-[2-(6-Phenylsulfonylamido-1,2-benzisoxazol-3-yl)ethyl]-1-piperidinecarboxylic acid 1-(1,1-Dimethylethyl) ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O5S
InChI InChI=1S/C25H31N3O5S/c1-25(2,3)32-24(29)28-15-13-18(14-16-28)9-12-22-21-11-10-19(17-23(21)33-26-22)27-34(30,31)20-7-5-4-6-8-20/h4-8,10-11,17-18,27H,9,12-16H2,1-3H3
InChIKey RHFKADKEGALJNF-UHFFFAOYSA-N
Molecular Weight 485.599 g/mol
SMILES N(S(=O)(=O)c1ccccc1)c1cc2onc(c2cc1)CCC1CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-001r-0009600000-158567e67f4139441959
Source of Spectrum E1-37-2729-6
Synonyms 4-[2-[6-(benzenesulfonamido)-1,2-benzoxazol-3-yl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester tert-butyl 4-[2-[6-(benzenesulfonamido)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate tert-butyl 4-[2-[6-(phenylsulfonylamino)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
Wiley ID 1575126