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bis(cis-4-[(ethoxycarbonyl)amino]cycloheptyl)sulfite
SpectraBase Compound ID CczVoxDlJEF
InChI InChI=1S/C20H36N2O7S/c1-3-26-19(23)21-15-7-5-9-17(13-11-15)28-30(25)29-18-10-6-8-16(12-14-18)22-20(24)27-4-2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16?,17+,18?,30?/m0/s1
InChIKey FDXUFOYVXXBPJU-YHGDBZRQSA-N
Mol Weight 448.6 g/mol
Molecular Formula C20H36N2O7S
Exact Mass 448.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DPC9GV3QFs
Name bis(cis-4-[(ethoxycarbonyl)amino]cycloheptyl)sulfite
CAS Registry Number 95798-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36N2O7S
InChI InChI=1S/C20H36N2O7S/c1-3-26-19(23)21-15-7-5-9-17(13-11-15)28-30(25)29-18-10-6-8-16(12-14-18)22-20(24)27-4-2/h15-18H,3-14H2,1-2H3,(H,21,23)(H,22,24)/t15-,16?,17+,18?,30?/m0/s1
InChIKey FDXUFOYVXXBPJU-YHGDBZRQSA-N
Molecular Weight 448.575 g/mol
SMILES N(C(=O)OCC)[C@@]1(CC[C@](OS(OC2CCC(NC(=O)OCC)CCC2)=O)(CCC1)[H])[H]
SPLASH splash10-001j-5900000000-4b844a1c3a0832983181
Source of Spectrum J-50-1823-28
Synonyms Ethyl (1S,4R)-4-{[({4-[(ethoxycarbonyl)amino]cycloheptyl}oxy)sulfinyl]oxy}cycloheptylcarbamate
Wiley ID 1387077