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10-Thia-2,3-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene
SpectraBase Compound ID ErNijzERFs5
InChI InChI=1S/C14H14N2S/c1-3-11-7-13(5-1)15-16-14-6-2-4-12(8-14)10-17-9-11/h1-8,15-16H,9-10H2
InChIKey PTTVGCNWPMDUNR-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C14H14N2S
Exact Mass 242.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqiM5GxLmzM
Name 10-Thia-2,3-diazatricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene
Alternate Name(s) 10-thia-2,3-diazatricyclo[10.3.1.1(4,8)]heptadeca-1(16),4(17),5,7,12,14-hexaene 2-Thia-10,11-diaza[3.2]metacyclophan
CAS Registry Number 99600-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2S
InChI InChI=1S/C14H14N2S/c1-3-11-7-13(5-1)15-16-14-6-2-4-12(8-14)10-17-9-11/h1-8,15-16H,9-10H2
InChIKey PTTVGCNWPMDUNR-UHFFFAOYSA-N
Molecular Weight 242.340 g/mol
SMILES N1c2cc(CSCc3cc(N1)ccc3)ccc2
SPLASH splash10-0006-0090000000-14b7fb9dd7e03e1a05d2
Source of Spectrum K-118-4413-15
Wiley ID 1245156