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3-Iodo-4,5-dimethoxy-8H-pyrazolo[5,1-a]isoindole
SpectraBase Compound ID zKVyxoI4oq
InChI InChI=1S/C12H11IN2O2/c1-16-9-4-3-7-6-15-11(8(13)5-14-15)10(7)12(9)17-2/h3-5H,6H2,1-2H3
InChIKey UJSCCPCWUVRHBB-UHFFFAOYSA-N
Mol Weight 342.14 g/mol
Molecular Formula C12H11IN2O2
Exact Mass 341.986523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qihJdAMstW
Name 3-Iodo-4,5-dimethoxy-8H-pyrazolo[5,1-a]isoindole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.986522600 u
Formula C12H11IN2O2
InChI InChI=1S/C12H11IN2O2/c1-16-9-4-3-7-6-15-11(8(13)5-14-15)10(7)12(9)17-2/h3-5H,6H2,1-2H3
InChIKey UJSCCPCWUVRHBB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201600961
Molecular Weight 342.136 g/mol
Quality 294
Reported Formula C12H11IN2O2
SMILES C=1(C=CC=2CN3N=CC(=C3C2C1OC)I)OC
SPLASH splash10-0006-9003000000-f197011da20af1586e2c
Source of Spectrum ACI-55-SM45-27 (DOI: 10.1002/anie.201600961)
Wiley ID 1897399