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1H-Naphtho[2,3-c]pyran-3-acetonitrile, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, trans-(.+-.)-
SpectraBase Compound ID FCq8UOHxBba
InChI InChI=1S/C16H13NO4/c1-8-13-11(7-9(21-8)5-6-17)15(19)10-3-2-4-12(18)14(10)16(13)20/h2-4,8-9,18H,5,7H2,1H3/t8-,9-/m0/s1
InChIKey BPNCURHIUQUYHG-IUCAKERBSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z4bO1HGpNW
Name 1H-Naphtho[2,3-c]pyran-3-acetonitrile, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, trans-(.+-.)-
CAS Registry Number 90696-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c1-8-13-11(7-9(21-8)5-6-17)15(19)10-3-2-4-12(18)14(10)16(13)20/h2-4,8-9,18H,5,7H2,1H3/t8-,9-/m0/s1
InChIKey BPNCURHIUQUYHG-IUCAKERBSA-N
Molecular Weight 283.283 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2ccc1)C[C@@](O[C@]3(C)[H])(CC#N)[H])=O
SPLASH splash10-029x-7490000000-376dd6c562780608a26a
Source of Spectrum C-106-4185-0
Synonyms 9-Hydroxy-1-methyl-3-cyanomethyl-2-oxa-1,2,3,4-tetrahydroanthraquinone [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetonitrile
Wiley ID 1286954