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8-n-Hexadecylsulfanylangelicin
SpectraBase Compound ID Am7qBlkKbDh
InChI InChI=1S/C27H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-26-21-23-24(29-26)18-16-22-17-19-25(28)30-27(22)23/h16-19,21H,2-15,20H2,1H3
InChIKey FGVCRHGXGNYLDF-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C27H38O3S
Exact Mass 442.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fisJ5hZWcN
Name 8-n-Hexadecylsulfanylangelicin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3S
InChI InChI=1S/C27H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-26-21-23-24(29-26)18-16-22-17-19-25(28)30-27(22)23/h16-19,21H,2-15,20H2,1H3
InChIKey FGVCRHGXGNYLDF-UHFFFAOYSA-N
Molecular Weight 442.658 g/mol
SMILES c12c3OC(=O)C=Cc3ccc1oc(c2)SCCCCCCCCCCCCCCCC
SPLASH splash10-0006-1000900000-23f41e50daab1e8a8467
Source of Spectrum SO-0-1530-5
Synonyms 8-(hexadecylsulfanyl)-2H-furo[2,3-h]chromen-2-one
Wiley ID 878209