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(2RS,4RS)-4-(N-Acetyl-N-benzylamino)-2-ethoxy-3-methyl-3,4-dihydro-2H-pyran-5-carbonitrile
SpectraBase Compound ID 8rpFVayZGLV
InChI InChI=1S/C18H22N2O3/c1-4-22-18-13(2)17(16(10-19)12-23-18)20(14(3)21)11-15-8-6-5-7-9-15/h5-9,12-13,17-18H,4,11H2,1-3H3/t13?,17-,18-/m0/s1
InChIKey IRISJUBFJNPHAI-RHGDZWTLSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yXMdKhnaCl
Name (2RS,4RS)-4-(N-Acetyl-N-benzylamino)-2-ethoxy-3-methyl-3,4-dihydro-2H-pyran-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-4-22-18-13(2)17(16(10-19)12-23-18)20(14(3)21)11-15-8-6-5-7-9-15/h5-9,12-13,17-18H,4,11H2,1-3H3/t13?,17-,18-/m0/s1
InChIKey IRISJUBFJNPHAI-RHGDZWTLSA-N
Molecular Weight 314.385 g/mol
SMILES [C@]1(N(C(=O)C)Cc2ccccc2)(C(=CO[C@@](C1C)(OCC)[H])C#N)[H]
SPLASH splash10-0016-5910000000-d14c7111cf7290de1b8c
Source of Spectrum AH-139-653-cis-5e
Wiley ID 1695642