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2-Hydroxy-aristotetralone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Hydroxy-aristotetralone
SpectraBase Compound ID JERwkxHUg0R
InChI InChI=1S/C21H22O6/c1-11-19(12-5-6-15-18(7-12)27-10-26-15)13-8-16(24-3)17(25-4)9-14(13)20(22)21(11,2)23/h5-9,11,19,23H,10H2,1-4H3/t11-,19-,21-/m1/s1
InChIKey MWXCGAIDQCJDNW-UXABEGIHSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvNInbOfkQ2
Name 2-Hydroxy-aristotetralone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.141638422 u
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-11-19(12-5-6-15-18(7-12)27-10-26-15)13-8-16(24-3)17(25-4)9-14(13)20(22)21(11,2)23/h5-9,11,19,23H,10H2,1-4H3/t11-,19-,21-/m1/s1
InChIKey MWXCGAIDQCJDNW-UXABEGIHSA-N
Molecular Weight 370.401 g/mol
SMILES C12=C([C@](C=3C=C4OCOC4=CC3)([H])[C@]([C@](C2=O)(O)C)(C)[H])C=C(C(=C1)OC)OC