10-[4-(1-piperidinylsulfonyl)benzoyl]-1,4,7-trioxa-10-azacyclododecane

SpectraBase Compound ID	94a2uNFgRpq
InChI	InChI=1S/C20H30N2O6S/c23-20(21-10-12-26-14-16-28-17-15-27-13-11-21)18-4-6-19(7-5-18)29(24,25)22-8-2-1-3-9-22/h4-7H,1-3,8-17H2
InChIKey	PSTTWFOGCFKEDV-UHFFFAOYSA-N Google Search
Mol Weight	426.53 g/mol
Molecular Formula	C20H30N2O6S
Exact Mass	426.182458 g/mol

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SpectraBase Spectrum ID	LebAXwSDpDv
Name	10-[4-(1-piperidinylsulfonyl)benzoyl]-1,4,7-trioxa-10-azacyclododecane
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H30N2O6S/c23-20(21-10-12-26-14-16-28-17-15-27-13-11-21)18-4-6-19(7-5-18)29(24,25)22-8-2-1-3-9-22/h4-7H,1-3,8-17H2
InChIKey	PSTTWFOGCFKEDV-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27242
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D75711; Labnumber: BAUL-1784; SBI_ID: SBI-027246
Temperature	306 °C