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2-propyl-5-[4-[2-(4-propylphenyl)ethynyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 1aIrG045T5R
InChI InChI=1S/C28H34/c1-3-5-21-7-9-22(10-8-21)11-12-23-13-15-25(16-14-23)28-19-26-17-24(6-4-2)18-27(26)20-28/h7-10,13-16,24,26-28H,3-6,17-20H2,1-2H3
InChIKey PZEOCBGYRDJRCP-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C28H34
Exact Mass 370.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9Vb0SyqrOg
Name 2-propyl-5-[4-[2-(4-propylphenyl)ethynyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34
InChI InChI=1S/C28H34/c1-3-5-21-7-9-22(10-8-21)11-12-23-13-15-25(16-14-23)28-19-26-17-24(6-4-2)18-27(26)20-28/h7-10,13-16,24,26-28H,3-6,17-20H2,1-2H3
InChIKey PZEOCBGYRDJRCP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 370.580 g/mol
SMILES C1C(CC2C1CC(C2)c1ccc(cc1)C#Cc1ccc(cc1)CCC)CCC
SPLASH splash10-0a4i-0904000000-512afd2648643e5bdc24
Source of Spectrum CN102875417A
Wiley ID 1847082