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3-Methylthio-4,4'-biphenantrene
SpectraBase Compound ID DhnhL8jg2Xs
InChI InChI=1S/C29H20S/c1-30-26-18-17-22-16-14-20-8-3-5-11-24(20)28(22)29(26)25-12-6-9-21-15-13-19-7-2-4-10-23(19)27(21)25/h2-18H,1H3
InChIKey YMNBWDXBNVINDO-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C29H20S
Exact Mass 400.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICYS0s6ZJuX
Name 3-Methylthio-4,4'-biphenantrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H20S
InChI InChI=1S/C29H20S/c1-30-26-18-17-22-16-14-20-8-3-5-11-24(20)28(22)29(26)25-12-6-9-21-15-13-19-7-2-4-10-23(19)27(21)25/h2-18H,1H3
InChIKey YMNBWDXBNVINDO-UHFFFAOYSA-N
Molecular Weight 400.539 g/mol
SMILES c1(-c2c3c4c(cccc4)ccc3ccc2)c2c3c(cccc3)ccc2ccc1SC
SPLASH splash10-0fb9-0906000000-a0030a44bb764c76e327
Source of Spectrum QC-6-787-13
Wiley ID 868825