1,3,5-Tris[(trans-2-ethoxycyclopropyl)ethynyl]benzene

SpectraBase Compound ID	4zchz4LGBsA
InChI	InChI=1S/C27H30O3/c1-4-28-25-16-22(25)10-7-19-13-20(8-11-23-17-26(23)29-5-2)15-21(14-19)9-12-24-18-27(24)30-6-3/h13-15,22-27H,4-6,16-18H2,1-3H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChIKey	LSYIXCKOOXEQFE-ZRRJEQDASA-N Google Search
Mol Weight	402.53 g/mol
Molecular Formula	C27H30O3
Exact Mass	402.219495 g/mol

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SpectraBase Spectrum ID	21FVOxKfmFw
Name	1,3,5-Tris[(trans-2-ethoxycyclopropyl)ethynyl]benzene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H30O3
InChI	InChI=1S/C27H30O3/c1-4-28-25-16-22(25)10-7-19-13-20(8-11-23-17-26(23)29-5-2)15-21(14-19)9-12-24-18-27(24)30-6-3/h13-15,22-27H,4-6,16-18H2,1-3H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChIKey	LSYIXCKOOXEQFE-ZRRJEQDASA-N
Molecular Weight	402.534 g/mol
SMILES	[C@]1(C#Cc2cc(C#C[C@@]3(C[C@]3(OCC)[H])[H])cc(C#C[C@@]3(C[C@]3(OCC)[H])[H])c2)(C[C@]1(OCC)[H])[H]
SPLASH	splash10-0fk9-0009600000-d0f6cd2f69ac62036a7c
Source of Spectrum	SO-0-587-13
Synonyms	1,3,5-tris{[(1S,2R)-2-ethoxycyclopropyl]ethynyl}benzene
Wiley ID	1544854