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XPIXHJTYAGVQDU-IFMALSPDSA-N

View entire compound with spectra: 1 NMR

XPIXHJTYAGVQDU-IFMALSPDSA-N
SpectraBase Compound ID CY93jKgXapE
InChI InChI=1S/C22H30N2O3S/c1-18-11-13-21(14-12-18)28(25,26)24-20(16-19-8-4-2-5-9-19)17-27-22(24)10-6-3-7-15-23/h2,4-5,8-9,11-14,20,22H,3,6-7,10,15-17,23H2,1H3/t20-,22-/m1/s1
InChIKey XPIXHJTYAGVQDU-IFMALSPDSA-N
Mol Weight 402.55 g/mol
Molecular Formula C22H30N2O3S
Exact Mass 402.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KO0SMMFV0Fa
Name XPIXHJTYAGVQDU-IFMALSPDSA-N
Compound Number 16FCB
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O3S
InChI InChI=1S/C22H30N2O3S/c1-18-11-13-21(14-12-18)28(25,26)24-20(16-19-8-4-2-5-9-19)17-27-22(24)10-6-3-7-15-23/h2,4-5,8-9,11-14,20,22H,3,6-7,10,15-17,23H2,1H3/t20-,22-/m1/s1
InChIKey XPIXHJTYAGVQDU-IFMALSPDSA-N
Literature Reference Author K.CONDE-FRIEBOES,R.K.SCHJELTVED,J.BREINHOLT
Literature Reference Citation J.ORG.CHEM.,67,8952(2002)
Literature Reference DOI 10.1021/jo026278m
Molecular Weight 402.552 g/mol
Solvent Unknown
Source File Reference UWVN24000