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4-(5-benzo[b]pyren-6-yl-2-thienyl)morpholine
SpectraBase Compound ID LIkpwqxeBtl
InChI InChI=1S/C28H21NOS/c1-2-7-21-20(6-1)22-10-8-18-4-3-5-19-9-11-23(28(22)26(18)19)27(21)24-12-13-25(31-24)29-14-16-30-17-15-29/h1-13H,14-17H2
InChIKey XERRQPVZIHHAMW-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C28H21NOS
Exact Mass 419.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBON945pYjD
Name 4-(5-benzo[b]pyren-6-yl-2-thienyl)morpholine
Alternate Name(s) 4-(5-benzo[b]pyren-6-ylthiophen-2-yl)morpholine 4-[5-(6-benzo[b]pyrenyl)-2-thiophenyl]morpholine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21NOS
InChI InChI=1S/C28H21NOS/c1-2-7-21-20(6-1)22-10-8-18-4-3-5-19-9-11-23(28(22)26(18)19)27(21)24-12-13-25(31-24)29-14-16-30-17-15-29/h1-13H,14-17H2
InChIKey XERRQPVZIHHAMW-UHFFFAOYSA-N
Molecular Weight 419.542 g/mol
SMILES c1(-c2c3c4c5c(cccc5cc3)ccc4c3c2cccc3)sc(N2CCOCC2)cc1
SPLASH splash10-01i0-0080900000-ea1d20f1933093b10ff6
Source of Spectrum U1-2003-3170-12
Wiley ID 1523796