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7-Isoquinolinol, 1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-(trifluoroacetyl)-, (S)-
SpectraBase Compound ID 6zYx8fRpc8A
InChI InChI=1S/C18H16F3NO4/c1-26-16-7-13-11(6-15(16)24)8-22(17(25)18(19,20)21)9-14(13)10-2-4-12(23)5-3-10/h2-7,14,23-24H,8-9H2,1H3
InChIKey ODIBYAQDNKNWCS-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C18H16F3NO4
Exact Mass 367.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y3ekXHmvo0
Name 7-Isoquinolinol, 1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-(trifluoroacetyl)-, (S)-
CAS Registry Number 56771-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F3NO4
InChI InChI=1S/C18H16F3NO4/c1-26-16-7-13-11(6-15(16)24)8-22(17(25)18(19,20)21)9-14(13)10-2-4-12(23)5-3-10/h2-7,14,23-24H,8-9H2,1H3
InChIKey ODIBYAQDNKNWCS-UHFFFAOYSA-N
Molecular Weight 367.324 g/mol
SMILES Oc1ccc(C2CN(Cc3c2cc(c(c3)O)OC)C(C(F)(F)F)=O)cc1
SPLASH splash10-014l-0492000000-7be99d9393b7fe4cf838
Source of Spectrum EP-5997-0-0
Synonyms 4-(4-Hydroxyphenyl)-6-methoxy-2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinol N-trifluroacetyl cherylline 2,2,2-tris(fluoranyl)-1-[4-(4-hydroxyphenyl)-6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Wiley ID 1352475