SpectraBase Compound ID | E3S18X5qVXX |
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InChI | InChI=1S/C32H35N3O5/c1-22-25(28-20-24(15-16-29(28)35-22)40-21-23-10-4-2-5-11-23)17-19-33-30(36)14-6-3-9-18-34-31(37)26-12-7-8-13-27(26)32(38)39/h2,4-5,7-8,10-13,15-16,20,35H,3,6,9,14,17-19,21H2,1H3,(H,33,36)(H,34,37)(H,38,39) |
InChIKey | MTWYFDZQPIGREN-UHFFFAOYSA-N |
Mol Weight | 541.6 g/mol |
Molecular Formula | C32H35N3O5 |
Exact Mass | 541.257671 g/mol |
SpectraBase Spectrum ID | HJbWcHIetwz |
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Name | benzoic acid, 2-[[[6-[[2-[2-methyl-5-(phenylmethoxy)-1H-indol-3-yl]ethyl]amino]-6-oxohexyl]amino]carbonyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 541.257671234 u |
Formula | C32H35N3O5 |
InChI | InChI=1S/C32H35N3O5/c1-22-25(28-20-24(15-16-29(28)35-22)40-21-23-10-4-2-5-11-23)17-19-33-30(36)14-6-3-9-18-34-31(37)26-12-7-8-13-27(26)32(38)39/h2,4-5,7-8,10-13,15-16,20,35H,3,6,9,14,17-19,21H2,1H3,(H,33,36)(H,34,37)(H,38,39) |
InChIKey | MTWYFDZQPIGREN-UHFFFAOYSA-N |
Molecular Weight | 541.648 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2017_18429 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/11240869; Lab Info: L-02; Lab Number: L-0200102 |