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(1R,2R,3E,9aS)-1-benzoxy-1-methyl-3-(2-methylpropylidene)quinolizidin-2-ol
SpectraBase Compound ID D4Jv4fNkeqg
InChI InChI=1S/C21H31NO2/c1-16(2)13-18-14-22-12-8-7-11-19(22)21(3,20(18)23)24-15-17-9-5-4-6-10-17/h4-6,9-10,13,16,19-20,23H,7-8,11-12,14-15H2,1-3H3/b18-13+/t19-,20+,21+/m0/s1
InChIKey JDTZTDYRNHHTSL-SBEUHDIBSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LlzebRCXU8
Name (1R,2R,3E,9aS)-1-benzoxy-1-methyl-3-(2-methylpropylidene)quinolizidin-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-16(2)13-18-14-22-12-8-7-11-19(22)21(3,20(18)23)24-15-17-9-5-4-6-10-17/h4-6,9-10,13,16,19-20,23H,7-8,11-12,14-15H2,1-3H3/b18-13+/t19-,20+,21+/m0/s1
InChIKey JDTZTDYRNHHTSL-SBEUHDIBSA-N
Molecular Weight 329.484 g/mol
SMILES O[C@@]1(\C(=C\C(C)C)CN2[C@]([C@]1(OCc1ccccc1)C)(CCCC2)[H])[H]
SPLASH splash10-000f-9570000000-9737b4da7349cb94c182
Source of Spectrum C-115-11403-35
Synonyms (1R,2R,3E,9aS)-1-benzyloxy-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-2-ol (1R,2R,3E,9aS)-1-methyl-3-(2-methylpropylidene)-1-phenylmethoxy-4,6,7,8,9,9a-hexahydro-2H-quinolizin-2-ol
Wiley ID 1327282