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1-Cyano-3,4-dihydro-3(S*)-(1-methoxy-3,4-O-isopropylidene-2-oxobutyl)naphthalene
SpectraBase Compound ID DoGeHUb7zbR
InChI InChI=1S/C19H21NO4/c1-19(2)23-11-16(24-19)17(21)18(22-3)13-8-12-6-4-5-7-15(12)14(9-13)10-20/h4-7,9,13,16,18H,8,11H2,1-3H3/t13-,16?,18?/m0/s1
InChIKey GLJUOOQFALMRAB-BELGNNRLSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7udrYrjaClV
Name 1-Cyano-3,4-dihydro-3(S*)-(1-methoxy-3,4-O-isopropylidene-2-oxobutyl)naphthalene
CAS Registry Number 72727-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-19(2)23-11-16(24-19)17(21)18(22-3)13-8-12-6-4-5-7-15(12)14(9-13)10-20/h4-7,9,13,16,18H,8,11H2,1-3H3/t13-,16?,18?/m0/s1
InChIKey GLJUOOQFALMRAB-BELGNNRLSA-N
Molecular Weight 327.380 g/mol
SMILES C1(=C[C@@](C(C(C2OC(C)(C)OC2)=O)OC)(Cc2c1cccc2)[H])C#N
SPLASH splash10-0gc0-4920000000-8e3e66883f46c880d811
Source of Spectrum J-48-3276-0
Synonyms (3S)-3-[(1R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-2-oxoethyl]-3,4-dihydro-1-naphthalenecarbonitrile
Wiley ID 1325601