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(1S,3S)-3-(Cyanomethyl)-3,4-dihydro-5,6,10-trimethoxy-1-methyl-1H-naphtho[2,3-c]pyran

View entire compound with spectra: 1 MS (GC)

(1S,3S)-3-(Cyanomethyl)-3,4-dihydro-5,6,10-trimethoxy-1-methyl-1H-naphtho[2,3-c]pyran
SpectraBase Compound ID BxMEyOaM9zK
InChI InChI=1S/C19H21NO4/c1-11-16-14(10-12(24-11)8-9-20)19(23-4)17-13(18(16)22-3)6-5-7-15(17)21-2/h5-7,11-12H,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKey XFKCVNYSSJGOPB-NWDGAFQWSA-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 IAboUkzK9b5
Name (1S,3S)-3-(Cyanomethyl)-3,4-dihydro-5,6,10-trimethoxy-1-methyl-1H-naphtho[2,3-c]pyran
Comments Less than 3 mono-isotopic peaks
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Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-11-16-14(10-12(24-11)8-9-20)19(23-4)17-13(18(16)22-3)6-5-7-15(17)21-2/h5-7,11-12H,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKey XFKCVNYSSJGOPB-NWDGAFQWSA-N
Molecular Weight 327.380 g/mol
SMILES c12c(c(OC)c3c(c2OC)cccc3OC)C[C@](O[C@]1(C)[H])(CC#N)[H]
SPLASH splash10-03fr-0009000000-21394a98126ed19bf6f5
Source of Spectrum U-1993-338-0
Synonyms (cis)-3-(Cyanomethyl)-3,4-dihydro-5,6,10-trimethoxy-1-methyl-1H-naphtho[2,3-c]pyran [(1S,3S)-5,6,10-trimethoxy-1-methyl-3,4-dihydro-1H-naphtho[2,3-c]pyran-3-yl]acetonitrile
Wiley ID 764883