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1,8-Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)octa-3,5-diyne
SpectraBase Compound ID 76e88TxI5nI
InChI InChI=1S/C30H38O4/c1-19-21(3)29(33-9)25(23(5)27(19)31-7)17-15-13-11-12-14-16-18-26-24(6)28(32-8)20(2)22(4)30(26)34-10/h15-18H2,1-10H3
InChIKey DCNRHGPZRPKBIR-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C30H38O4
Exact Mass 462.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZHu1FNfmXS
Name 1,8-Bis(2,5-dimethoxy-3,4,6-trimethylphenyl)octa-3,5-diyne
Alternate Name(s) 1-[8-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,5-octadiynyl]-2,5-dimethoxy-3,4,6-trimethylbenzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38O4
InChI InChI=1S/C30H38O4/c1-19-21(3)29(33-9)25(23(5)27(19)31-7)17-15-13-11-12-14-16-18-26-24(6)28(32-8)20(2)22(4)30(26)34-10/h15-18H2,1-10H3
InChIKey DCNRHGPZRPKBIR-UHFFFAOYSA-N
Molecular Weight 462.630 g/mol
SMILES c1(c(c(C)c(c(c1C)CCC#CC#CCCc1c(c(C)c(c(c1C)OC)C)OC)OC)C)OC
SPLASH splash10-0006-0900200000-50b7e29f3c26c619f400
Source of Spectrum F-56-6790-3
Wiley ID 858370