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1-Isoquinolinemethanol, 6,7-dimethoxy-8-nitro-.alpha.-(nitromethyl)-
SpectraBase Compound ID CDzmeBs6VDw
InChI InChI=1S/C13H13N3O7/c1-22-9-5-7-3-4-14-11(8(17)6-15(18)19)10(7)12(16(20)21)13(9)23-2/h3-5,8,17H,6H2,1-2H3
InChIKey PYZGDELFWWFOCQ-UHFFFAOYSA-N
Mol Weight 323.26 g/mol
Molecular Formula C13H13N3O7
Exact Mass 323.07535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UEgP84dTXo
Name 1-Isoquinolinemethanol, 6,7-dimethoxy-8-nitro-.alpha.-(nitromethyl)-
CAS Registry Number 132213-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O7
InChI InChI=1S/C13H13N3O7/c1-22-9-5-7-3-4-14-11(8(17)6-15(18)19)10(7)12(16(20)21)13(9)23-2/h3-5,8,17H,6H2,1-2H3
InChIKey PYZGDELFWWFOCQ-UHFFFAOYSA-N
Molecular Weight 323.261 g/mol
SMILES OC(CN(=O)=O)c1c2c(N(=O)=O)c(c(cc2ccn1)OC)OC
SPLASH splash10-02t9-3491000000-d56bb8b41462c5d684bd
Source of Spectrum KC-1990-3197-3
Synonyms 1-(6,7-Dimehtoxy-8-nitro-1-isoquinolyl)-2-nitroethanol 1-(6,7-dimethoxy-8-nitro-1-isoquinolinyl)-2-nitroethanol
Wiley ID 1322288