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Transoid-anti-11,21-dimethoxy-2-thia-[3.2](1,3)naphthalenophane

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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
Mol Weight 400.54 g/mol
Molecular Formula C26H24O2S
Exact Mass 400.149701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID YTUoASp576
Name Transoid-anti-11,21-dimethoxy-2-thia-[3.2](1,3)naphthalenophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.149701185 u
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 C12=C(C(CCC3=C4C=CC=CC4=CC(=C3OC)CSC1)=CC=1C2=CC=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935528