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1-n-Octyl-8-pentyl-1,4-dihydrochromeno[4,3-d]-1,2,3-triazole
SpectraBase Compound ID 4KV0pacCBSj
InChI InChI=1S/C22H33N3O/c1-3-5-7-8-9-11-15-25-22-19-16-18(12-10-6-4-2)13-14-21(19)26-17-20(22)23-24-25/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey QQPSBGUZYYFZKS-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C22H33N3O
Exact Mass 355.262363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nSf5iznma
Name 1-n-Octyl-8-pentyl-1,4-dihydrochromeno[4,3-d]-1,2,3-triazole
Alternate Name(s) 1-Octyl-8-pentyl-1,4-dihydrochromeno[3,4-d][1,2,3]triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33N3O
InChI InChI=1S/C22H33N3O/c1-3-5-7-8-9-11-15-25-22-19-16-18(12-10-6-4-2)13-14-21(19)26-17-20(22)23-24-25/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey QQPSBGUZYYFZKS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1005517
Molecular Weight 355.526 g/mol
SMILES C1Oc2c(-c3c1nn[n]3CCCCCCCC)cc(cc2)CCCCC
SPLASH splash10-0a4l-5930000000-193feb1be97bd3b2f8f8
Source of Spectrum A1-12-2056/SMS7-2g
Wiley ID 1752148