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homocysteine, S-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID FL9QL3rlQcP
InChI InChI=1S/C24H30BrNO4S/c1-31-7-6-20(22(28)30-14-21(27)18-2-4-19(25)5-3-18)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,20H,6-14H2,1H3,(H,26,29)
InChIKey CSQSYFBQXCJRTI-UHFFFAOYSA-N
Mol Weight 508.47 g/mol
Molecular Formula C24H30BrNO4S
Exact Mass 507.107893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63ceFZZuiBc
Name homocysteine, S-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.107892620 u
Formula C24H30BrNO4S
InChI InChI=1S/C24H30BrNO4S/c1-31-7-6-20(22(28)30-14-21(27)18-2-4-19(25)5-3-18)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,20H,6-14H2,1H3,(H,26,29)
InChIKey CSQSYFBQXCJRTI-UHFFFAOYSA-N
Molecular Weight 508.471 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16906
Solvent DMSO-d6
Source Vendor ID: NMR/10301425; Lab Info: AI; Lab Number: AI-S001398