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(1S*,3S*,5S*)-3-(2-bromoethyl)-5-(3-methoxyphenyl)-8-methyl-2-oxa-8-azabicyclo[3.3.1]nonane
SpectraBase Compound ID K3RiDOoXJZA
InChI InChI=1S/C17H24BrNO2/c1-19-9-7-17(13-4-3-5-14(10-13)20-2)11-15(6-8-18)21-16(19)12-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKey MSULLBPBUFQWSP-IKGGRYGDSA-N
Mol Weight 354.29 g/mol
Molecular Formula C17H24BrNO2
Exact Mass 353.099042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz037RGeHLQ
Name (1S*,3S*,5S*)-3-(2-bromoethyl)-5-(3-methoxyphenyl)-8-methyl-2-oxa-8-azabicyclo[3.3.1]nonane
CAS Registry Number 118724-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24BrNO2
InChI InChI=1S/C17H24BrNO2/c1-19-9-7-17(13-4-3-5-14(10-13)20-2)11-15(6-8-18)21-16(19)12-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKey MSULLBPBUFQWSP-IKGGRYGDSA-N
Molecular Weight 354.288 g/mol
SMILES [C@@]12(C[C@@]([H])(N(CC2)C)O[C@@](C1)(CCBr)[H])c1cc(OC)ccc1
SPLASH splash10-0uka-6290000000-4476dee9e389f6da0575
Source of Spectrum J-54-1444-13
Synonyms (1S,3S,5S)-3-(2-bromoethyl)-5-(3-methoxyphenyl)-8-methyl-2-oxa-8-azabicyclo[3.3.1]nonane 3-[(1S,3S,5S)-3-(2-bromoethyl)-8-methyl-2-oxa-8-azabicyclo[3.3.1]non-5-yl]phenyl methyl ether
Wiley ID 1343861