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(3S)-3-[(Methoxymethyl)oxy]-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
SpectraBase Compound ID J4D1K98WZHn
InChI InChI=1S/C21H20O4/c1-21(25-12-24-2)10-9-14-13(11-21)7-8-17-18(14)20(23)16-6-4-3-5-15(16)19(17)22/h3-8H,9-12H2,1-2H3/t21-/m0/s1
InChIKey COFBUYSDPHJPRR-NRFANRHFSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ddjm1HMjcb9
Name (3S)-3-[(Methoxymethyl)oxy]-3-methyl-1,2,3,4-tetrahydrobenzo[A]anthracene-7,12-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-21(25-12-24-2)10-9-14-13(11-21)7-8-17-18(14)20(23)16-6-4-3-5-15(16)19(17)22/h3-8H,9-12H2,1-2H3/t21-/m0/s1
InChIKey COFBUYSDPHJPRR-NRFANRHFSA-N
Molecular Weight 336.387 g/mol
SMILES C=12C(C=3C=CC=CC3C(C2=CC=C2C1CC[C@@](OCOC)(C)C2)=O)=O