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9-(1,3-Dithiol-2-ylidene)-10-oxo-1,8-[13-crown-5]-9,10-dihydroanthracene

View entire compound with spectra: 1 MS (GC)

9-(1,3-Dithiol-2-ylidene)-10-oxo-1,8-[13-crown-5]-9,10-dihydroanthracene
SpectraBase Compound ID Dh7NPTKyDgr
InChI InChI=1S/C29H26O6S2/c30-28-26-19-5-3-7-21(26)34-17-15-32-13-11-31-12-14-33-16-18-35-22-8-4-6-20(27(22)28)25(19)29-36-23-9-1-2-10-24(23)37-29/h1-10H,11-18H2
InChIKey NXIBIQJQXOCNBO-UHFFFAOYSA-N
Mol Weight 534.64 g/mol
Molecular Formula C29H26O6S2
Exact Mass 534.117081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN0vegWVDpV
Name 9-(1,3-Dithiol-2-ylidene)-10-oxo-1,8-[13-crown-5]-9,10-dihydroanthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26O6S2
InChI InChI=1S/C29H26O6S2/c30-28-26-19-5-3-7-21(26)34-17-15-32-13-11-31-12-14-33-16-18-35-22-8-4-6-20(27(22)28)25(19)29-36-23-9-1-2-10-24(23)37-29/h1-10H,11-18H2
InChIKey NXIBIQJQXOCNBO-UHFFFAOYSA-N
Molecular Weight 534.641 g/mol
SMILES C1(=C2c3c4c(OCCOCCOCCOCCOc5c(C4=O)c2ccc5)ccc3)Sc2ccccc2S1
SPLASH splash10-001r-0102290000-718982ee968f06b3dd01
Source of Spectrum H1-67-671-5
Wiley ID 1593476