transoid-anti-11,21-Dimethoxy-2-thia-[3.2](1,3)naphthalenophane

SpectraBase Compound ID	4bz4UX9ftMv
InChI	InChI=1S/C26H24O2S/c1-27-25-19-11-12-23-21-9-5-3-8-18(21)14-20(26(23)28-2)15-29-16-24(25)22-10-6-4-7-17(22)13-19/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKey	GAPHPCGMFGXTJL-UHFFFAOYSA-N Google Search
Mol Weight	400.54 g/mol
Molecular Formula	C26H24O2S
Exact Mass	400.149701 g/mol

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SpectraBase Spectrum ID	AVAUwxOEpOH
Name	transoid-anti-11,21-Dimethoxy-2-thia-[3.2](1,3)naphthalenophane
Alternate Name(s)	24,25-dimethoxy-14-thiapentacyclo[14.7.1.1(4,12).0(5,10).0(17,22)]pentacosa-1(23),4,6,8,10,12(25),16(24),17,19,21-decaene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H24O2S
InChI	InChI=1S/C26H24O2S/c1-27-25-19-11-12-23-21-9-5-3-8-18(21)14-20(26(23)28-2)15-29-16-24(25)22-10-6-4-7-17(22)13-19/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKey	GAPHPCGMFGXTJL-UHFFFAOYSA-N
Molecular Weight	400.536 g/mol
SMILES	c12c(c(CCc3c4ccccc4cc(c3OC)CSC1)cc1c2cccc1)OC
SPLASH	splash10-0gbi-0940500000-a5555120aab54c7241a7
Source of Spectrum	J-62-6482-43
Wiley ID	1369609