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(3S,4R,4bR,5aR,9aS)-4b-p-Tolyl-dodecahydro-5-oxa-10a-aza-benzo[b]fluoren-11-one
SpectraBase Compound ID 5nAIjmhU2yI
InChI InChI=1S/C22H29NO2/c1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)14-16-6-2-5-9-20(16)25-22/h10-13,16,18-20H,2-9,14H2,1H3/t16-,18+,19-,20+,22-/m0/s1
InChIKey VGZUWGKCRSMNHW-HXUPBZAASA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w9wl3fAHcS
Name (3S,4R,4bR,5aR,9aS)-4b-p-Tolyl-dodecahydro-5-oxa-10a-aza-benzo[b]fluoren-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)14-16-6-2-5-9-20(16)25-22/h10-13,16,18-20H,2-9,14H2,1H3/t16-,18+,19-,20+,22-/m0/s1
InChIKey VGZUWGKCRSMNHW-HXUPBZAASA-N
Instrument Name Jeol JMS-D300
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960715)10_9_1013
Molecular Weight 339.479 g/mol
SMILES [C@]12(N(C[C@]3([C@](O2)(CCCC3)[H])[H])C([C@]2([C@@]1(CCCC2)[H])[H])=O)c1ccc(cc1)C
SPLASH splash10-0002-5597000000-59fcd409761eb58ee06e
Source of Spectrum RCM-10-1018-10
Wiley ID 1836055