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(4R*,4aR*,9aR*)-4-butyl-9-(4-methoxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole

View entire compound with spectra: 1 MS (GC)

(4R*,4aR*,9aR*)-4-butyl-9-(4-methoxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SpectraBase Compound ID CjagEREnDTW
InChI InChI=1S/C23H29NO/c1-3-4-8-17-9-7-12-22-23(17)20-10-5-6-11-21(20)24(22)18-13-15-19(25-2)16-14-18/h5-6,10-11,13-17,22-23H,3-4,7-9,12H2,1-2H3/t17-,22-,23-/m1/s1
InChIKey RLJAIPITTWNMPM-NLSFWIRASA-N
Mol Weight 335.49 g/mol
Molecular Formula C23H29NO
Exact Mass 335.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FORWcLI2ecC
Name (4R*,4aR*,9aR*)-4-butyl-9-(4-methoxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO
InChI InChI=1S/C23H29NO/c1-3-4-8-17-9-7-12-22-23(17)20-10-5-6-11-21(20)24(22)18-13-15-19(25-2)16-14-18/h5-6,10-11,13-17,22-23H,3-4,7-9,12H2,1-2H3/t17-,22-,23-/m1/s1
InChIKey RLJAIPITTWNMPM-NLSFWIRASA-N
Molecular Weight 335.491 g/mol
SMILES [C@@]12(N(c3ccccc3[C@]1([C@@](CCC2)(CCCC)[H])[H])c1ccc(cc1)OC)[H]
SPLASH splash10-000i-0095000000-425e5606237287180caa
Source of Spectrum KD-52-2382/SM30-4g
Synonyms (4R,4aR,9aR)-4-butyl-9-(4-methoxyphenyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
Wiley ID 1803745