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2-chloro-8-hydroxy-7-isopropyl-6-methoxy-1,4-naphthoquinone
SpectraBase Compound ID 8tbkIfpE0Uw
InChI InChI=1S/C14H13ClO4/c1-6(2)11-10(19-3)4-7-9(16)5-8(15)13(17)12(7)14(11)18/h4-6,18H,1-3H3
InChIKey UMVOCSTVACAJDV-UHFFFAOYSA-N
Mol Weight 280.71 g/mol
Molecular Formula C14H13ClO4
Exact Mass 280.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzmdCMreuzZ
Name 2-chloro-8-hydroxy-7-isopropyl-6-methoxy-1,4-naphthoquinone
Alternate Name(s) 2-chloranyl-6-methoxy-8-oxidanyl-7-propan-2-yl-naphthalene-1,4-dione 2-chloro-8-hydroxy-6-methoxy-7-propan-2-ylnaphthalene-1,4-dione 2-chloro-8-hydroxy-7-isopropyl-6-methoxy-naphthalene-1,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO4
InChI InChI=1S/C14H13ClO4/c1-6(2)11-10(19-3)4-7-9(16)5-8(15)13(17)12(7)14(11)18/h4-6,18H,1-3H3
InChIKey UMVOCSTVACAJDV-UHFFFAOYSA-N
Molecular Weight 280.707 g/mol
SMILES Oc1c2c(C(=O)C=C(C2=O)Cl)cc(c1C(C)C)OC
SPLASH splash10-014i-0090000000-89b2b9bd387379e1dc72
Source of Spectrum JA-50-409-0
Wiley ID 1283565