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2,6-Dimethyl-1,5-bis(phemylethynyl) 9-oxatricyclo[3,3,1,0(3,6)] nonane
SpectraBase Compound ID 1YMKZSLFtuO
InChI InChI=1S/C26H24O/c1-23-17-19-26(16-14-22-11-7-4-8-12-22)24(23,2)18-20-25(23,27-26)15-13-21-9-5-3-6-10-21/h3-12H,17-20H2,1-2H3/t23-,24-,25+,26+/m1/s1
InChIKey SJCLNDYFLOQUFB-XPGKHFPBSA-N
Mol Weight 352.48 g/mol
Molecular Formula C26H24O
Exact Mass 352.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBhUOk8iqyM
Name 2,6-Dimethyl-1,5-bis(phemylethynyl) 9-oxatricyclo[3,3,1,0(3,6)] nonane
CAS Registry Number 142484-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O
InChI InChI=1S/C26H24O/c1-23-17-19-26(16-14-22-11-7-4-8-12-22)24(23,2)18-20-25(23,27-26)15-13-21-9-5-3-6-10-21/h3-12H,17-20H2,1-2H3/t23-,24-,25+,26+/m1/s1
InChIKey SJCLNDYFLOQUFB-XPGKHFPBSA-N
Molecular Weight 352.477 g/mol
SMILES [C@]12([C@]3([C@](C)([C@](O2)(C#Cc2ccccc2)CC3)CC1)C)C#Cc1ccccc1
SPLASH splash10-00p4-1902000000-3e295ad3bb42a678f4e3
Source of Spectrum K-125-2608-19
Synonyms 2,9-Dimethyl-5,7-bis(phenylethynyl)-6-oxatricyclo[3.3.1.0(2,7)]nonane
Wiley ID 1343745