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N-Benzyl-1-thia-10-aza[2.2]metacyclophane
SpectraBase Compound ID 3oSLP9ryFjj
InChI InChI=1S/C21H19NS/c1-2-6-17(7-3-1)14-22-15-18-8-4-9-19(12-18)16-23-21-11-5-10-20(22)13-21/h1-13H,14-16H2
InChIKey RMRQEDBTRUVBDO-UHFFFAOYSA-N
Mol Weight 317.45 g/mol
Molecular Formula C21H19NS
Exact Mass 317.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sf8s0vigqA
Name N-Benzyl-1-thia-10-aza[2.2]metacyclophane
Alternate Name(s) 10-benzyl-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 C21H19NS
InChI InChI=1S/C21H19NS/c1-2-6-17(7-3-1)14-22-15-18-8-4-9-19(12-18)16-23-21-11-5-10-20(22)13-21/h1-13H,14-16H2
InChIKey RMRQEDBTRUVBDO-UHFFFAOYSA-N
Molecular Weight 317.450 g/mol
SMILES c12N(Cc3cc(CSc(c2)ccc1)ccc3)Cc1ccccc1
SPLASH splash10-014i-3339000000-21d7f36b619e4be216c5
Source of Spectrum KC-0-2941-6
Wiley ID 786877