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2,2-Dimethyl-3-hydroxy-4-(1,2,4-triazol-1-yl)-8-phenoxy-octane diast.B

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2,2-Dimethyl-3-hydroxy-4-(1,2,4-triazol-1-yl)-8-phenoxy-octane diast.B
SpectraBase Compound ID D0lGwfw84tP
InChI InChI=1S/C18H27N3O2/c1-18(2,3)17(22)16(21-14-19-13-20-21)11-7-8-12-23-15-9-5-4-6-10-15/h4-6,9-10,13-14,16-17,22H,7-8,11-12H2,1-3H3
InChIKey NGHNNQKBFXDRQT-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C18H27N3O2
Exact Mass 317.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kZZXzX7VTR
Name 2,2-Dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)-3-octanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N3O2
InChI InChI=1S/C18H27N3O2/c1-18(2,3)17(22)16(21-14-19-13-20-21)11-7-8-12-23-15-9-5-4-6-10-15/h4-6,9-10,13-14,16-17,22H,7-8,11-12H2,1-3H3
InChIKey NGHNNQKBFXDRQT-UHFFFAOYSA-N
Molecular Weight 317.433 g/mol
SMILES OC(C(CCCCOc1ccccc1)[n]1cncn1)C(C)(C)C
SPLASH splash10-02g6-9210000000-071ca017cfc89b9a8e75
Synonyms 2,2-Dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)octan-3-ol
Wiley ID 1472258