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isopropyl 2-[(2-fluorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID 6SfYixSXXxx
InChI InChI=1S/C25H32FNO3S/c1-17(2)30-25(29)22-19-14-9-7-5-3-4-6-8-10-16-21(19)31-24(22)27-23(28)18-13-11-12-15-20(18)26/h11-13,15,17H,3-10,14,16H2,1-2H3,(H,27,28)
InChIKey YHQJXYVLLFILSV-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H32FNO3S
Exact Mass 445.208693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2s0k01EcYjg
Name isopropyl 2-[(2-fluorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
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/C25H32FNO3S/c1-17(2)30-25(29)22-19-14-9-7-5-3-4-6-8-10-16-21(19)31-24(22)27-23(28)18-13-11-12-15-20(18)26/h11-13,15,17H,3-10,14,16H2,1-2H3,(H,27,28)
InChIKey YHQJXYVLLFILSV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20623
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: UZI/9131671; Labnumber: U_AM_ACK/055298; UZI_ID: UZI-020631
Temperature 318 °C