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5H-Benzo[6,7]cyclohepta[1,2-d]pyrimidine, ethanol deriv.
SpectraBase Compound ID 9zKX565ABDF
InChI InChI=1S/C16H19N3O/c1-19(9-10-20)16-14-8-4-6-12-5-2-3-7-13(12)15(14)17-11-18-16/h2-3,5,7,11,20H,4,6,8-10H2,1H3
InChIKey XXVIPHXLFIRSBF-UHFFFAOYSA-N
Mol Weight 269.35 g/mol
Molecular Formula C16H19N3O
Exact Mass 269.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0K830hMyPH
Name 5H-Benzo[6,7]cyclohepta[1,2-d]pyrimidine, ethanol deriv.
Alternate Name(s) Ethanol, 2-[(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl)methylamino]- 2-[6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl(methyl)amino]ethanol 4-(N-methyl-2-hydroxyethylamino)-6,7-dihydro-5H-benzo[3,4]cyclohepta[1,2-d]pyrimidine
CAS Registry Number 130043-20-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O
InChI InChI=1S/C16H19N3O/c1-19(9-10-20)16-14-8-4-6-12-5-2-3-7-13(12)15(14)17-11-18-16/h2-3,5,7,11,20H,4,6,8-10H2,1H3
InChIKey XXVIPHXLFIRSBF-UHFFFAOYSA-N
Molecular Weight 269.348 g/mol
SMILES OCCN(c1c2c(-c3c(cccc3)CCC2)ncn1)C
SPLASH splash10-000i-0090000000-137a69aeb65fb2e35b2e
Source of Spectrum Y-27-761-0
Wiley ID 1273344