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4H,10H-1,13-Etheno-5,9-nitrilo-3,11,7-benzodithiaazacyclopentadecine, 2,12-dihydro-
SpectraBase Compound ID KudyFKvtVKh
InChI InChI=1S/C18H16N2S2/c1-2-4-18-14-6-5-13(17(18)3-1)9-21-11-15-7-19-8-16(20-15)12-22-10-14/h1-8H,9-12H2
InChIKey PIHFAAITNLWQAF-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C18H16N2S2
Exact Mass 324.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LOJPG06qL9
Name 4H,10H-1,13-Etheno-5,9-nitrilo-3,11,7-benzodithiaazacyclopentadecine, 2,12-dihydro-
CAS Registry Number 100098-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2S2
InChI InChI=1S/C18H16N2S2/c1-2-4-18-14-6-5-13(17(18)3-1)9-21-11-15-7-19-8-16(20-15)12-22-10-14/h1-8H,9-12H2
InChIKey PIHFAAITNLWQAF-UHFFFAOYSA-N
Molecular Weight 324.460 g/mol
SMILES C1c2cncc(n2)CSCc2ccc(c3c2cccc3)CS1
SPLASH splash10-0f80-0902000000-560773037c1c8519db8e
Source of Spectrum K-118-4917-20
Wiley ID 1323180