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ethyl 6-ethyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2FCjeAn5Mdy
InChI InChI=1S/C27H27NO4S/c1-3-16-13-14-19-22(15-16)33-26(24(19)27(30)31-4-2)28-25(29)23-17-9-5-7-11-20(17)32-21-12-8-6-10-18(21)23/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,28,29)
InChIKey RXZMWPDLJTXZLV-UHFFFAOYSA-N
Mol Weight 461.58 g/mol
Molecular Formula C27H27NO4S
Exact Mass 461.16608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHQglwhTfZl
Name ethyl 6-ethyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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/C27H27NO4S/c1-3-16-13-14-19-22(15-16)33-26(24(19)27(30)31-4-2)28-25(29)23-17-9-5-7-11-20(17)32-21-12-8-6-10-18(21)23/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,28,29)
InChIKey RXZMWPDLJTXZLV-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2512
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/8052373; UBI_ID: UBI-002513
Temperature 313 °C