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ACN
SpectraBase Compound ID AMNP3rEvC6m
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-8-6-14(13)9-16(21)10-15-5-7-20-19-4-3-17(22)11-18(15)19/h2-5,7,11,14,16,22H,6,8-10,12H2,1H3/b13-2-/t14-,16+/m1/s1
InChIKey PCAITUGMOVBBJX-SJWNBSGJSA-N
Mol Weight 294.4 g/mol
Molecular Formula C19H22N2O
Exact Mass 294.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Dh0DBHUWbO
Name ACN
Alternate Name(s) (Z)-Apocinchonine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-8-6-14(13)9-16(21)10-15-5-7-20-19-4-3-17(22)11-18(15)19/h2-5,7,11,14,16,22H,6,8-10,12H2,1H3/b13-2-/t14-,16+/m1/s1
InChIKey PCAITUGMOVBBJX-SJWNBSGJSA-N
Molecular Weight 294.398 g/mol
SMILES Oc1cc2c(C[C@]3(N4C\C(=C\C)[C@](CC4)(C3)[H])[H])ccnc2cc1
SPLASH splash10-000i-0920000000-359e1d63fd8044ec70cb
Source of Spectrum O-35-713-15
Wiley ID 818207