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Phenol, 4-(4-isoquinolinylmethyl)-
SpectraBase Compound ID FjEaG2EMCpo
InChI InChI=1S/C16H13NO/c18-15-7-5-12(6-8-15)9-14-11-17-10-13-3-1-2-4-16(13)14/h1-8,10-11,18H,9H2
InChIKey AAGPJWJOHXHNQK-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SYF0WypJQJ
Name Phenol, 4-(4-isoquinolinylmethyl)-
Alternate Name(s) 4-(4-Isoquinolinylmethyl)phenol 4-(isoquinolin-4-ylmethyl)phenol
CAS Registry Number 90136-99-5
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NO
InChI InChI=1S/C16H13NO/c18-15-7-5-12(6-8-15)9-14-11-17-10-13-3-1-2-4-16(13)14/h1-8,10-11,18H,9H2
InChIKey AAGPJWJOHXHNQK-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES Oc1ccc(Cc2c3c(cccc3)cnc2)cc1
SPLASH splash10-0019-0090000000-485a8c632b9ff813af62
Source of Spectrum F-40-219-0
Wiley ID 1237323