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BVVU5IsXJ41
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BVVU5IsXJ41
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NY3X:6200:1
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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5-Hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-3-indolecarboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-Hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID BRjXDU6MADg
InChI InChI=1S/C21H23N3O5/c1-3-29-21(26)20-14(2)23(19-10-9-17(25)13-18(19)20)12-4-11-22-15-5-7-16(8-6-15)24(27)28/h5-10,13,22,25H,3-4,11-12H2,1-2H3
InChIKey KGVFKECPKJCCTI-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C21H23N3O5
Exact Mass 397.163771 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVVU5IsXJ41
Name 1H-indole-3-carboxylic acid, 5-hydroxy-2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-, ethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.163770848 u
Formula C21H23N3O5
InChI InChI=1S/C21H23N3O5/c1-3-29-21(26)20-14(2)23(19-10-9-17(25)13-18(19)20)12-4-11-22-15-5-7-16(8-6-15)24(27)28/h5-10,13,22,25H,3-4,11-12H2,1-2H3
InChIKey KGVFKECPKJCCTI-UHFFFAOYSA-N
Molecular Weight 397.431 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6200
Solvent DMSO-d6
Source Vendor ID: NMR/10251056; Lab Info: LP; Lab Number: LP-0103056
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