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1-(1-Benzyl-1H-1,2,4-triazol-5-yl)-1-octadecanol

View entire compound with spectra: 3 MS (GC)

1-(1-Benzyl-1H-1,2,4-triazol-5-yl)-1-octadecanol
SpectraBase Compound ID 1m3Hy4bj6Hb
InChI InChI=1S/C27H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(31)27-28-24-29-30(27)23-25-20-17-16-18-21-25/h16-18,20-21,24,26,31H,2-15,19,22-23H2,1H3
InChIKey IOTXIQKYPZXOLY-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C27H45N3O
Exact Mass 427.356263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVlBTMTLXFP
Name 1-(1-Benzyl-1H-1,2,4-triazol-5-yl)-1-octadecanol
CAS Registry Number 74897-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45N3O
InChI InChI=1S/C27H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(31)27-28-24-29-30(27)23-25-20-17-16-18-21-25/h16-18,20-21,24,26,31H,2-15,19,22-23H2,1H3
InChIKey IOTXIQKYPZXOLY-UHFFFAOYSA-N
Molecular Weight 427.677 g/mol
SMILES OC(c1ncn[n]1Cc1ccccc1)CCCCCCCCCCCCCCCCC
SPLASH splash10-000f-9411100000-fbe270a48e76671f7801
Source of Spectrum H-63-598-14
Synonyms 1-(2-benzyl-1,2,4-triazol-3-yl)octadecan-1-ol 1-Octadecanol, 1-(1-benzyl-1H-1,2,4-triazol-5-yl) 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]-1-octadecanol 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]octadecan-1-ol
Wiley ID 1380467