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O8-hexyl O4-methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate
SpectraBase Compound ID 8w8mtXaP9A
InChI InChI=1S/C23H31NO6/c1-3-4-5-9-14-29-23(27)24-17-12-13-18(24)20(22(26)28-2)19(15-17)30-21(25)16-10-7-6-8-11-16/h6-8,10-11,17-20H,3-5,9,12-15H2,1-2H3/t17-,18+,19?,20?/m1/s1
InChIKey AQDRNZDCJDDVPG-ZMTPEHOPSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H31NO6
Exact Mass 417.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOuugiPX2RR
Name O8-hexyl O4-methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate
Carrier Gas Helium (0.6 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.215137716 u
Formula C23H31NO6
GC Column HP 5MS (30 m x 0.25 mm)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C23H31NO6/c1-3-4-5-9-14-29-23(27)24-17-12-13-18(24)20(22(26)28-2)19(15-17)30-21(25)16-10-7-6-8-11-16/h6-8,10-11,17-20H,3-5,9,12-15H2,1-2H3/t17-,18+,19?,20?/m1/s1
InChIKey AQDRNZDCJDDVPG-ZMTPEHOPSA-N
Instrument Name Gas Chromatograph model 6890-MSD 5972
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200500488
Molecular Weight 417.502 g/mol
Quality 344
SMILES CCCCCCOC(=O)N1[C@]2(CC(C([C@@]1(CC2)[H])C(=O)OC)OC(C1=CC=CC=C1)=O)[H]
SPLASH splash10-0a4j-1900000000-012f7c7e5bc02dd41cbc
Source of Spectrum SEP-29-2088-Figure 2C (DOI: 10.1002/jssc.200500488)
Wiley ID 1909596