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1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane
SpectraBase Compound ID Kxn0nHihqRz
InChI InChI=1S/C22H30O2/c1-4-18(19-5-6-20(23-2)21(10-19)24-3)14-22-11-15-7-16(12-22)9-17(8-15)13-22/h5-6,10,14-17H,4,7-9,11-13H2,1-3H3/b18-14+/t15-,16+,17-,22-
InChIKey PBIHMJRLYJCPHT-WORYFZFRSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWOlnw6iCAu
Name 1-[(E)-2-(3,4-dimethoxyphenyl)but-1-enyl]adamantane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-4-18(19-5-6-20(23-2)21(10-19)24-3)14-22-11-15-7-16(12-22)9-17(8-15)13-22/h5-6,10,14-17H,4,7-9,11-13H2,1-3H3/b18-14+/t15-,16+,17-,22-
InChIKey PBIHMJRLYJCPHT-WORYFZFRSA-N
Molecular Weight 326.480 g/mol
SMILES C(\C(=C/C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])c1cc(c(cc1)OC)OC)C
SPLASH splash10-004i-2539000000-46c9c77b9b9223b60067
Source of Spectrum J-66-6028-16
Wiley ID 1535800