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N-BUTYLHYOSCIN

View entire compound with spectra: 1 MS (GC)

N-BUTYLHYOSCIN
SpectraBase Compound ID 9ITL0StbIUG
InChI InChI=1S/C20H27NO4/c1-2-3-9-21-16-10-14(11-17(21)19-18(16)25-19)24-20(23)15(12-22)13-7-5-4-6-8-13/h4-8,14-19,22H,2-3,9-12H2,1H3/t14-,15?,16-,17+,18-,19-/m0/s1
InChIKey YVEVAAHLEQKBBW-IEZPQTAPSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ap1DoPn2f4
Name N-BUTYLHYOSCIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-2-3-9-21-16-10-14(11-17(21)19-18(16)25-19)24-20(23)15(12-22)13-7-5-4-6-8-13/h4-8,14-19,22H,2-3,9-12H2,1H3/t14-,15?,16-,17+,18-,19-/m0/s1
InChIKey YVEVAAHLEQKBBW-IEZPQTAPSA-N
Instrument Name DI
Molecular Weight 345.439 g/mol
SMILES OCC(c1ccccc1)C(=O)O[C@]1(C[C@@]2(N(CCCC)[C@](C1)([C@@]1(O[C@@]21[H])[H])[H])[H])[H]
SPLASH splash10-000f-9500000000-1ff95bcaf3834c5f8077
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany