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4-(6-benzo[b]pyrenyl)-1-(4-morpholinyl)-1-butanethione
SpectraBase Compound ID 4lHKmzy2zwM
InChI InChI=1S/C28H25NOS/c31-26(29-15-17-30-18-16-29)10-4-9-23-21-7-1-2-8-22(21)24-13-11-19-5-3-6-20-12-14-25(23)28(24)27(19)20/h1-3,5-8,11-14H,4,9-10,15-18H2
InChIKey QMHFHEOIYRWNQQ-UHFFFAOYSA-N
Mol Weight 423.57 g/mol
Molecular Formula C28H25NOS
Exact Mass 423.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbeqCpHUAhv
Name 4-(6-benzo[b]pyrenyl)-1-(4-morpholinyl)-1-butanethione
Alternate Name(s) 4-Benzo[b]pyren-6-yl-1-morpholin-4-yl-butane-1-thione 4-Benzo[b]pyren-6-yl-1-morpholino-butane-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25NOS
InChI InChI=1S/C28H25NOS/c31-26(29-15-17-30-18-16-29)10-4-9-23-21-7-1-2-8-22(21)24-13-11-19-5-3-6-20-12-14-25(23)28(24)27(19)20/h1-3,5-8,11-14H,4,9-10,15-18H2
InChIKey QMHFHEOIYRWNQQ-UHFFFAOYSA-N
Molecular Weight 423.574 g/mol
SMILES c12c3c(CCCC(N4CCOCC4)=S)c4c(c1ccc1c2c(cc3)ccc1)cccc4
SPLASH splash10-004i-0090300000-b1452262542cd0b381a0
Source of Spectrum U1-2003-3170-5
Wiley ID 1523797