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{(S)-1-[(Z)-2-Bromo-3-(3,4-dimethoxy-phenyl)-allyl]-pyrrolidin-2-yl}-methanol

View entire compound with spectra: 1 MS (GC)

{(S)-1-[(Z)-2-Bromo-3-(3,4-dimethoxy-phenyl)-allyl]-pyrrolidin-2-yl}-methanol
SpectraBase Compound ID Hs9Bt9mDcjN
InChI InChI=1S/C16H22BrNO3/c1-20-15-6-5-12(9-16(15)21-2)8-13(17)10-18-7-3-4-14(18)11-19/h5-6,8-9,14,19H,3-4,7,10-11H2,1-2H3/b13-8-/t14-/m0/s1
InChIKey BBEQZFKZOOSPQN-MQJVFOOVSA-N
Mol Weight 356.26 g/mol
Molecular Formula C16H22BrNO3
Exact Mass 355.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A77WpBw8rGv
Name {(S)-1-[(Z)-2-Bromo-3-(3,4-dimethoxy-phenyl)-allyl]-pyrrolidin-2-yl}-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrNO3
InChI InChI=1S/C16H22BrNO3/c1-20-15-6-5-12(9-16(15)21-2)8-13(17)10-18-7-3-4-14(18)11-19/h5-6,8-9,14,19H,3-4,7,10-11H2,1-2H3/b13-8-/t14-/m0/s1
InChIKey BBEQZFKZOOSPQN-MQJVFOOVSA-N
Molecular Weight 356.260 g/mol
SMILES OC[C@]1(N(C\C(=C\c2cc(OC)c(cc2)OC)Br)CCC1)[H]
SPLASH splash10-0a6r-0595000000-e0e240bb2b6a3d64a13a
Source of Spectrum B-57-547-33
Synonyms {(2S)-1-[(2Z)-2-bromo-3-(3,4-dimethoxyphenyl)-2-propenyl]pyrrolidinyl}methanol {1-[2'-Bromo-3'-(3'',4''-dimethoxyphenyl)prop-2'-enyl]-pyrrolidin-2-yl}-methanol
Wiley ID 1551462