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Asimilobine

View entire compound with spectra: 2 NMR, and 5 MS (GC)

Asimilobine
SpectraBase Compound ID 2eQrPi3m11E
InChI InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKey NBDNEUOVIJYCGZ-CYBMUJFWSA-N
Mol Weight 267.33 g/mol
Molecular Formula C17H17NO2
Exact Mass 267.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r935cFrq8A
Name Asimilobine
Alternate Name(s) (-)-Asimilobine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO2
InChI InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKey NBDNEUOVIJYCGZ-CYBMUJFWSA-N
Molecular Weight 267.328 g/mol
SMILES N1CCc2c3c(c(c(c2)O)OC)-c2c(C[C@@]13[H])cccc2
SPLASH splash10-014i-1290000000-e47b3f4d8008cd933751
Source of Spectrum CD-92-0-0
Wiley ID 1271319