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Methyl 3,3-di(1H-imidazol-1-yl)propanoate
SpectraBase Compound ID HfTh90fmab0
InChI InChI=1S/C10H12N4O2/c1-16-10(15)6-9(13-4-2-11-7-13)14-5-3-12-8-14/h2-5,7-9H,6H2,1H3
InChIKey XAFUKXBXIOJMBX-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C10H12N4O2
Exact Mass 220.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID toOhGzsLrW
Name Methyl 3,3-di(1H-imidazol-1-yl)propanoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O2
InChI InChI=1S/C10H12N4O2/c1-16-10(15)6-9(13-4-2-11-7-13)14-5-3-12-8-14/h2-5,7-9H,6H2,1H3
InChIKey XAFUKXBXIOJMBX-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N-5975
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102736
Molecular Weight 220.232 g/mol
SMILES COC(CC([n]1cncc1)[n]1ccnc1)=O
SPLASH splash10-0w29-0920000000-6374a588bb5ecc36e362
Source of Spectrum CSC-15-SM13-13-1
Wiley ID 1873443