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(1R,5R)-(-)-3-(2'-hydroxy-3'-methoxybenzylidene)nopinone
SpectraBase Compound ID IadtaPYw6TO
InChI InChI=1S/C17H20O3/c1-17(2)12-8-11(15(18)13(17)9-12)7-10-5-4-6-14(20-3)16(10)19/h4-7,12-13,19H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKey QDKJPMDMYXPOBE-STQMWFEESA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sFWqUMWzfM
Name (1R,5R)-(-)-3-(2'-hydroxy-3'-methoxybenzylidene)nopinone
Appearance Colorless transparent crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-17(2)12-8-11(15(18)13(17)9-12)7-10-5-4-6-14(20-3)16(10)19/h4-7,12-13,19H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKey QDKJPMDMYXPOBE-STQMWFEESA-N
Ionization Type EI
Molecular Weight 272.344 g/mol
Optical Rotation [a]D25 = -72.6?? (c = 0.24, CCl3)
SMILES Oc1c(cccc1C=C1C[C@]2(C[C@@](C2(C)C)([H])C1=O)[H])OC
SPLASH splash10-001i-4590000000-38abde94a34b6efbc0b8
Source of Spectrum CN102391088A
Wiley ID 1844694