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Hexyl 1-naphthoate
SpectraBase Compound ID 5fvfFpvTSti
InChI InChI=1S/C17H20O2/c1-2-3-4-7-13-19-17(18)16-12-8-10-14-9-5-6-11-15(14)16/h5-6,8-12H,2-4,7,13H2,1H3
InChIKey FCJJJGIQKSILKG-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SND8JFaQDx
Name Hexyl 1-naphthoate
CAS Registry Number 3007-93-0
Classification Designer drug side product
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 256.146329882 u
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-2-3-4-7-13-19-17(18)16-12-8-10-14-9-5-6-11-15(14)16/h5-6,8-12H,2-4,7,13H2,1H3
InChIKey FCJJJGIQKSILKG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 256.345 g/mol
Nominal Mass 256 u
Quality 830
Retention Index 2093
SMILES C=12C(C(OCCCCCC)=O)=CC=CC2=CC=CC1
SPLASH splash10-05di-2910000000-8cbf5db111e2f4e6bd1a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexyl naphthalene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_015906