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1H-pyrrolo[2,1-c][1,4]benzodiazepine-10-acetic acid, 2,3,5,10,11,11a-hexahydro-2-hydroxy-5,11-dioxo-, ethyl ester, (2S,11aS)-

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1H-pyrrolo[2,1-c][1,4]benzodiazepine-10-acetic acid, 2,3,5,10,11,11a-hexahydro-2-hydroxy-5,11-dioxo-, ethyl ester, (2S,11aS)-
SpectraBase Compound ID 2uhOlbwZd5
InChI InChI=1S/C16H18N2O5/c1-2-23-14(20)9-18-12-6-4-3-5-11(12)15(21)17-8-10(19)7-13(17)16(18)22/h3-6,10,13,19H,2,7-9H2,1H3
InChIKey PCXIUDUAIJGXIX-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dvW8x2Sm2G
Name 1H-pyrrolo[2,1-c][1,4]benzodiazepine-10-acetic acid, 2,3,5,10,11,11a-hexahydro-2-hydroxy-5,11-dioxo-, ethyl ester, (2S,11aS)-
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/C16H18N2O5/c1-2-23-14(20)9-18-12-6-4-3-5-11(12)15(21)17-8-10(19)7-13(17)16(18)22/h3-6,10,13,19H,2,7-9H2,1H3
InChIKey PCXIUDUAIJGXIX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7766
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: F31056; Labnumber: NNA-V-09029