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7-n-Hexadecylsulfanylpsoralen

View entire compound with spectra: 1 MS (GC)

7-n-Hexadecylsulfanylpsoralen
SpectraBase Compound ID HLMUm1D2ol
InChI InChI=1S/C29H42O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-27-21-24-20-25-22(2)19-26(30)31-29(25)23(3)28(24)32-27/h19-21H,4-18H2,1-3H3
InChIKey VYPIIWHYBUBPJG-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C29H42O3S
Exact Mass 470.285466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8A2cCbui7l
Name 7-n-Hexadecylsulfanylpsoralen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42O3S
InChI InChI=1S/C29H42O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-27-21-24-20-25-22(2)19-26(30)31-29(25)23(3)28(24)32-27/h19-21H,4-18H2,1-3H3
InChIKey VYPIIWHYBUBPJG-UHFFFAOYSA-N
Molecular Weight 470.712 g/mol
SMILES c12c(C(C)=CC(O2)=O)cc2c(c1C)oc(SCCCCCCCCCCCCCCCC)c2
SPLASH splash10-00di-0050900000-59b7f20cfd88dba3f88d
Source of Spectrum SO-0-1531-8
Wiley ID 878205