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9a(5aH)-Dibenzofuranacetonitrile, 6,7,8,9-tetrahydro-7-hydroxy-4-methoxy-, (5a.alpha.,7.beta.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID 9WJT2XJGbWa
InChI InChI=1S/C15H17NO3/c1-18-12-4-2-3-11-14(12)19-13-9-10(17)5-6-15(11,13)7-8-16/h2-4,10,13,17H,5-7,9H2,1H3/t10-,13-,15+/m0/s1
InChIKey IXFXVJNQEBWLHL-VZJVUDMVSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxmIe6IprhR
Name 9a(5aH)-Dibenzofuranacetonitrile, 6,7,8,9-tetrahydro-7-hydroxy-4-methoxy-, (5a.alpha.,7.beta.,9a.alpha.)-(.+-.)-
CAS Registry Number 115262-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-18-12-4-2-3-11-14(12)19-13-9-10(17)5-6-15(11,13)7-8-16/h2-4,10,13,17H,5-7,9H2,1H3/t10-,13-,15+/m0/s1
InChIKey IXFXVJNQEBWLHL-VZJVUDMVSA-N
Molecular Weight 259.305 g/mol
SMILES O[C@]1(CC[C@@]2([C@@](Oc3c2cccc3OC)(C1)[H])CC#N)[H]
SPLASH splash10-0kdi-0590000000-f35fe6513c4de48f48dd
Source of Spectrum KC-1987-2699-20
Synonyms ((3S,4aS,9bR)-3-hydroxy-6-methoxy-2,3,4,4a-tetrahydrodibenzo[b,d]furan-9b(1H)-yl)acetonitrile (3S*,4aS*,9bR*)-9b-cyanomethyl-6-methoxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-3-ol
Wiley ID 1262784