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Clathrodin

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

Clathrodin
SpectraBase Compound ID JOUHkhxe1Lm
InChI InChI=1S/C11H13N5O/c12-11-15-7-8(16-11)3-1-6-14-10(17)9-4-2-5-13-9/h1-5,7,13H,6H2,(H,14,17)(H3,12,15,16)/b3-1+
InChIKey PJKFCZYTTBYEHL-HNQUOIGGSA-N
Mol Weight 231.26 g/mol
Molecular Formula C11H13N5O
Exact Mass 231.11201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgSaBGJQGLk
Name Clathrodin
Alternate Name(s) N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide N-[(E)-3-(2-azanyl-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N5O
InChI InChI=1S/C11H13N5O/c12-11-15-7-8(16-11)3-1-6-14-10(17)9-4-2-5-13-9/h1-5,7,13H,6H2,(H,14,17)(H3,12,15,16)/b3-1+
InChIKey PJKFCZYTTBYEHL-HNQUOIGGSA-N
Molecular Weight 231.259 g/mol
SMILES [nH]1c(cnc1N)\C=C\CNC(c1[nH]ccc1)=O
SPLASH splash10-0udi-0910000000-a1b30762033c0208562e
Source of Spectrum X2-54-630-1
Wiley ID 1604026