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cis-1-Methoxy-4.alpha.-cyano-4a,5,8,8a-tetrahydroisochroman
SpectraBase Compound ID 74llqTcD1ix
InChI InChI=1S/C11H15NO2/c1-13-11-10-5-3-2-4-9(10)8(6-12)7-14-11/h2-3,8-11H,4-5,7H2,1H3/t8-,9?,10?,11+/m0/s1
InChIKey MLIWAJCSTARGCN-IDWGSYCQSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PEwYpNgSNL
Name cis-1-Methoxy-4.alpha.-cyano-4a,5,8,8a-tetrahydroisochroman
CAS Registry Number 71117-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-13-11-10-5-3-2-4-9(10)8(6-12)7-14-11/h2-3,8-11H,4-5,7H2,1H3/t8-,9?,10?,11+/m0/s1
InChIKey MLIWAJCSTARGCN-IDWGSYCQSA-N
Molecular Weight 193.246 g/mol
SMILES C12C([C@@](C#N)(CO[C@]2(OC)[H])[H])CC=CC1
SPLASH splash10-01q9-7900000000-8909e7d5e3e839e864b2
Source of Spectrum J-44-3503-0
Synonyms (1R,4S)-1-methoxy-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran-4-carbonitrile
Wiley ID 1189648