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N-Benzyl-(2R,3R,4R,4aS,8aR)-3,4-O-isopropylidene-2-methoxymethyl-4a,8a-decahydroquinoline
SpectraBase Compound ID 2f60FzrNmS
InChI InChI=1S/C21H31NO3/c1-21(2)24-19-16-11-7-8-12-17(16)22(13-15-9-5-4-6-10-15)18(14-23-3)20(19)25-21/h4-6,9-10,16-20H,7-8,11-14H2,1-3H3/t16-,17+,18+,19-,20-/m1/s1
InChIKey LJRNZBCDWLZWQP-LCWAXJCOSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9NFBiJqaKi
Name N-Benzyl-(2R,3R,4R,4aS,8aR)-3,4-O-isopropylidene-2-methoxymethyl-4a,8a-decahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-21(2)24-19-16-11-7-8-12-17(16)22(13-15-9-5-4-6-10-15)18(14-23-3)20(19)25-21/h4-6,9-10,16-20H,7-8,11-14H2,1-3H3/t16-,17+,18+,19-,20-/m1/s1
InChIKey LJRNZBCDWLZWQP-LCWAXJCOSA-N
Molecular Weight 345.483 g/mol
SMILES [C@@]1(N([C@@]2([C@]([C@]3(OC(O[C@]13[H])(C)C)[H])(CCCC2)[H])[H])Cc1ccccc1)(COC)[H]
SPLASH splash10-0f6x-6069000000-a641ce36d74c86b145a6
Source of Spectrum J-73-5296-56
Wiley ID 1668412