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(E)-(5R*,8R*)-5-Acetoxy-8-(benzylamino)dodec-6-ene
SpectraBase Compound ID 8hjcDl2ujyl
InChI InChI=1S/C21H33NO2/c1-4-6-13-20(22-17-19-11-9-8-10-12-19)15-16-21(14-7-5-2)24-18(3)23/h8-12,15-16,20-22H,4-7,13-14,17H2,1-3H3/b16-15+/t20-,21-/m1/s1
InChIKey CMMVCNJIJDBLAI-IFTVWREOSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfDRMupWG69
Name (E)-(5R*,8R*)-5-Acetoxy-8-(benzylamino)dodec-6-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO2
InChI InChI=1S/C21H33NO2/c1-4-6-13-20(22-17-19-11-9-8-10-12-19)15-16-21(14-7-5-2)24-18(3)23/h8-12,15-16,20-22H,4-7,13-14,17H2,1-3H3/b16-15+/t20-,21-/m1/s1
InChIKey CMMVCNJIJDBLAI-IFTVWREOSA-N
Molecular Weight 331.500 g/mol
SMILES N([C@@](\C=C\[C@](OC(=O)C)(CCCC)[H])(CCCC)[H])Cc1ccccc1
SPLASH splash10-0089-0598000000-29fd6d06aaaa32ea6e59
Source of Spectrum C-120-6669-20
Synonyms (1R,2E,4R)-4-(benzylamino)-1-butyl-2-octenyl acetate
Wiley ID 761054