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u-2-Bromo-.alpha.-(1,2,3,4-Tetrahydro-6,7-methylenedioxy-1-isoquinolinyl)benzyl-alcohol
SpectraBase Compound ID 1Ne0jkwthu6
InChI InChI=1S/C17H16BrNO3/c18-13-4-2-1-3-11(13)17(20)16-12-8-15-14(21-9-22-15)7-10(12)5-6-19-16/h1-4,7-8,16-17,19-20H,5-6,9H2
InChIKey CGLJODHLHFNYRF-UHFFFAOYSA-N
Mol Weight 362.22 g/mol
Molecular Formula C17H16BrNO3
Exact Mass 361.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FV0BWEzbZ07
Name u-2-Bromo-.alpha.-(1,2,3,4-Tetrahydro-6,7-methylenedioxy-1-isoquinolinyl)benzyl-alcohol
CAS Registry Number 104270-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16BrNO3
InChI InChI=1S/C17H16BrNO3/c18-13-4-2-1-3-11(13)17(20)16-12-8-15-14(21-9-22-15)7-10(12)5-6-19-16/h1-4,7-8,16-17,19-20H,5-6,9H2
InChIKey CGLJODHLHFNYRF-UHFFFAOYSA-N
Molecular Weight 362.223 g/mol
SMILES OC(C1c2cc3OCOc3cc2CCN1)c1c(Br)cccc1
SPLASH splash10-004i-0900000000-b80845b91db3f59bc6f8
Source of Spectrum H-70-1374-0
Synonyms l-2-Bromo-.alpha.-(1,2,3,4-Tetrahydro-6,7-methylenedioxy-1-isoquinolinyl) benzyl alcohol (2-bromophenyl)(5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol
Wiley ID 1348889