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1-Isoquinolinemethanol, .alpha.-1,3-benzodioxol-5-yl-
SpectraBase Compound ID CqFrxcL2cDQ
InChI InChI=1S/C17H13NO3/c19-17(12-5-6-14-15(9-12)21-10-20-14)16-13-4-2-1-3-11(13)7-8-18-16/h1-9,17,19H,10H2
InChIKey NMJGMPAIXQHEGG-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Bb48VFixE
Name 1-Isoquinolinemethanol, .alpha.-1,3-benzodioxol-5-yl-
CAS Registry Number 10174-95-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c19-17(12-5-6-14-15(9-12)21-10-20-14)16-13-4-2-1-3-11(13)7-8-18-16/h1-9,17,19H,10H2
InChIKey NMJGMPAIXQHEGG-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES OC(c1c2c(cccc2)ccn1)c1cc2OCOc2cc1
SPLASH splash10-004i-0690000000-2738a5bdf0813870b840
Source of Spectrum I-55-169-0
Synonyms 1,3-benzodioxol-5-yl(1-isoquinolinyl)methanol 1,3-benzodioxol-5-yl(1-isoquinolyl)methanol 1,3-benzodioxol-5-yl(isoquinolin-1-yl)methanol
Wiley ID 1283091