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2-[2-[(tert-Butoxycarbonyl)amino]-6-methoxy-4-methylphenyl]-3-hydroxy-5-methoxy-1,4-naphthoquinone
SpectraBase Compound ID 1MKwrC2ZVZ0
InChI InChI=1S/C24H25NO7/c1-12-10-14(25-23(29)32-24(2,3)4)18(16(11-12)31-6)19-20(26)13-8-7-9-15(30-5)17(13)21(27)22(19)28/h7-11,28H,1-6H3,(H,25,29)
InChIKey IPAKEHSPNVXOFU-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C24H25NO7
Exact Mass 439.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVT96zqLP5q
Name 2-[2-[(tert-Butoxycarbonyl)amino]-6-methoxy-4-methylphenyl]-3-hydroxy-5-methoxy-1,4-naphthoquinone
Alternate Name(s) tert-Butyl 2-(3-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylphenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7
InChI InChI=1S/C24H25NO7/c1-12-10-14(25-23(29)32-24(2,3)4)18(16(11-12)31-6)19-20(26)13-8-7-9-15(30-5)17(13)21(27)22(19)28/h7-11,28H,1-6H3,(H,25,29)
InChIKey IPAKEHSPNVXOFU-UHFFFAOYSA-N
Molecular Weight 439.464 g/mol
SMILES OC1=C(c2c(cc(cc2OC)C)NC(OC(C)(C)C)=O)C(c2c(C1=O)c(ccc2)OC)=O
SPLASH splash10-00fr-0009000000-055901d91c19ad250377
Source of Spectrum F-53-16839-13
Wiley ID 804781