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6,16-Etheno-13,9-nitrilo-9H-cyclotrideca[b]naphthalene, 7,8,14,15-tetrahydro-8,14-bis(methylthio)-
SpectraBase Compound ID FNWFhrnlZwd
InChI InChI=1S/C25H23NS2/c1-27-24-14-18-10-11-19(15-25(28-2)23-9-5-8-22(24)26-23)21-13-17-7-4-3-6-16(17)12-20(18)21/h3-13,24-25H,14-15H2,1-2H3
InChIKey QGZMVHKVOPPBGC-UHFFFAOYSA-N
Mol Weight 401.59 g/mol
Molecular Formula C25H23NS2
Exact Mass 401.127192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5h00rPzL4be
Name 6,16-Etheno-13,9-nitrilo-9H-cyclotrideca[b]naphthalene, 7,8,14,15-tetrahydro-8,14-bis(methylthio)-
CAS Registry Number 106727-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NS2
InChI InChI=1S/C25H23NS2/c1-27-24-14-18-10-11-19(15-25(28-2)23-9-5-8-22(24)26-23)21-13-17-7-4-3-6-16(17)12-20(18)21/h3-13,24-25H,14-15H2,1-2H3
InChIKey QGZMVHKVOPPBGC-UHFFFAOYSA-N
Molecular Weight 401.586 g/mol
SMILES CSC1Cc2c3c(c(CC(c4cccc1n4)SC)cc2)cc1c(c3)cccc1
SPLASH splash10-0udi-0419300000-df2478545803a0ecfd04
Source of Spectrum HE-1982-0-0
Wiley ID 1370056