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(4bS,8aS,9S)-11-Methyl-3-neopentyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene
SpectraBase Compound ID 2B63tf1Lu6c
InChI InChI=1S/C22H33N/c1-21(2,3)15-16-8-9-17-14-20-18-7-5-6-10-22(18,19(17)13-16)11-12-23(20)4/h8-9,13,18,20H,5-7,10-12,14-15H2,1-4H3/t18-,20+,22+/m1/s1
InChIKey OBHXXGCCBPDWEH-CBQOVEMMSA-N
Mol Weight 311.5 g/mol
Molecular Formula C22H33N
Exact Mass 311.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSc8WHntk9d
Name (4bS,8aS,9S)-11-Methyl-3-neopentyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33N
InChI InChI=1S/C22H33N/c1-21(2,3)15-16-8-9-17-14-20-18-7-5-6-10-22(18,19(17)13-16)11-12-23(20)4/h8-9,13,18,20H,5-7,10-12,14-15H2,1-4H3/t18-,20+,22+/m1/s1
InChIKey OBHXXGCCBPDWEH-CBQOVEMMSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02200
Molecular Weight 311.513 g/mol
SMILES c12c(C[C@]3([C@@]4([C@]2(CCCC4)CCN3C)[H])[H])ccc(c1)CC(C)(C)C
SPLASH splash10-001i-9000000000-ebdfeaf5b1187917a85a
Source of Spectrum A1-17-4352/SM26-23b
Wiley ID 1802305