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1-Thia-10-aza[2.2]metacyclophane
SpectraBase Compound ID 4QPoZxhkSeC
InChI InChI=1S/C14H13NS/c1-3-11-7-12(4-1)10-16-14-6-2-5-13(8-14)15-9-11/h1-8,15H,9-10H2
InChIKey UWMMUXSDNQTAPG-UHFFFAOYSA-N
Mol Weight 227.32 g/mol
Molecular Formula C14H13NS
Exact Mass 227.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci8OrwnygDi
Name 1-Thia-10-aza[2.2]metacyclophane
Alternate Name(s) 2-Thia-10-azatricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NS
InChI InChI=1S/C14H13NS/c1-3-11-7-12(4-1)10-16-14-6-2-5-13(8-14)15-9-11/h1-8,15H,9-10H2
InChIKey UWMMUXSDNQTAPG-UHFFFAOYSA-N
Molecular Weight 227.325 g/mol
SMILES N1Cc2cc(CSc3cc1ccc3)ccc2
SPLASH splash10-0a6r-0960000000-28ed85b2866fb7e811d0
Source of Spectrum KC-0-2941-1
Wiley ID 786878