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[2](1,5)Naphthaleno[2](2,6)pyrazinophane, 1,12-bis(methylthio)-
SpectraBase Compound ID IUZlvwzGbVU
InChI InChI=1S/C20H20N2S2/c1-23-19-9-13-5-3-8-16-14(6-4-7-15(13)16)10-20(24-2)18-12-21-11-17(19)22-18/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKey NCQWCEXOIUQQBW-UHFFFAOYSA-N
Mol Weight 352.51 g/mol
Molecular Formula C20H20N2S2
Exact Mass 352.106791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzdCVxD16Rx
Name [2](1,5)Naphthaleno[2](2,6)pyrazinophane, 1,12-bis(methylthio)-
CAS Registry Number 100164-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2S2
InChI InChI=1S/C20H20N2S2/c1-23-19-9-13-5-3-8-16-14(6-4-7-15(13)16)10-20(24-2)18-12-21-11-17(19)22-18/h3-8,11-12,19-20H,9-10H2,1-2H3
InChIKey NCQWCEXOIUQQBW-UHFFFAOYSA-N
Molecular Weight 352.514 g/mol
SMILES c1ncc2nc1C(Cc1c3c(ccc1)c(CC2SC)ccc3)SC
SPLASH splash10-1000-0948000000-66401e4f8417880e8293
Source of Spectrum K-118-4932-10
Synonyms endo-1,12-bis(methylthio)[2](1,4)naphthaleno[2](2,6)pyrazinophane cis,cis-12-bis(methylthio)[2](1,5)naphthaleno[2](2,6)pyrazinophane [2](1,5)naphthalino[2](2,6)pyrazinophan, 1,12-bis(methylthio)-
Wiley ID 1343291