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Methyl 2,3-Bis(6-hydroxyhex-1-yn-1-yl)-1-methyl-1H-indole-5-carboxylate
SpectraBase Compound ID CAzyKx8NPSS
InChI InChI=1S/C23H27NO4/c1-24-21(12-8-4-6-10-16-26)19(11-7-3-5-9-15-25)20-17-18(23(27)28-2)13-14-22(20)24/h13-14,17,25-26H,3-6,9-10,15-16H2,1-2H3
InChIKey NXSJTGNQSAIWFQ-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Bxt0SVaxU
Name Methyl 2,3-Bis(6-hydroxyhex-1-yn-1-yl)-1-methyl-1H-indole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-24-21(12-8-4-6-10-16-26)19(11-7-3-5-9-15-25)20-17-18(23(27)28-2)13-14-22(20)24/h13-14,17,25-26H,3-6,9-10,15-16H2,1-2H3
InChIKey NXSJTGNQSAIWFQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501396s
Molecular Weight 381.472 g/mol
SMILES OCCCCC#Cc1c2cc(ccc2[n](c1C#CCCCCO)C)C(=O)OC
SPLASH splash10-0fef-4609000000-e815b161e61b88bf7957
Source of Spectrum J-79-9042-17g
Wiley ID 1748136