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N-octadecyl-1,3-benzodioxol-5-amine
SpectraBase Compound ID LvXGHAdBK5q
InChI InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-18-19-24-25(21-23)28-22-27-24/h18-19,21,26H,2-17,20,22H2,1H3
InChIKey GLSCLJTZHDCKJK-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C25H43NO2
Exact Mass 389.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XCfMa3a5xS
Name N-octadecyl-1,3-benzodioxol-5-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.329379627 u
Formula C25H43NO2
GC Column HP-5 (30 m x 250 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-18-19-24-25(21-23)28-22-27-24/h18-19,21,26H,2-17,20,22H2,1H3
InChIKey GLSCLJTZHDCKJK-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201603681
Molecular Weight 389.624 g/mol
Quality 93
Reported Formula C25H43NO2
SMILES N(CCCCCCCCCCCCCCCCCC)C=1C=CC2=C(OCO2)C1
SPLASH splash10-0udr-0908000000-033552a2a86fbb1f868b
Source of Spectrum ACI-55-SM21-21-1 (DOI: 10.1002/anie.201603681)
Wiley ID 1899160