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8-Amino-7-(4-bromophenyl)-5-methoxy-7H-benzo[h]chromeno[2,3-d]pyrimidine
SpectraBase Compound ID JiGFrK3J9WI
InChI InChI=1S/C22H16BrN3O2/c1-27-17-10-16-18(12-6-8-13(23)9-7-12)19-21(24)25-11-26-22(19)28-20(16)15-5-3-2-4-14(15)17/h2-11,18H,1H3,(H2,24,25,26)
InChIKey LCUXSLQTIGOKME-UHFFFAOYSA-N
Mol Weight 434.29 g/mol
Molecular Formula C22H16BrN3O2
Exact Mass 433.04259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tGIzG7763o
Name 8-Amino-7-(4-bromophenyl)-5-methoxy-7H-benzo[h]chromeno[2,3-d]pyrimidine
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrN3O2
InChI InChI=1S/C22H16BrN3O2/c1-27-17-10-16-18(12-6-8-13(23)9-7-12)19-21(24)25-11-26-22(19)28-20(16)15-5-3-2-4-14(15)17/h2-11,18H,1H3,(H2,24,25,26)
InChIKey LCUXSLQTIGOKME-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2016.03.002
Molecular Weight 434.293 g/mol
SMILES Nc1c2C(c3c(c4c(cccc4)c(c3)OC)Oc2ncn1)c1ccc(cc1)Br
SPLASH splash10-0159-9000700000-54aa3c0493f26ad76770
Source of Spectrum SCS-21-85-17
Wiley ID 1857612