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3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl heptanoate
SpectraBase Compound ID BhIkdJ59A3t
InChI InChI=1S/C22H28O5/c1-4-5-6-7-12-18(23)27-14-22(2,3)13-17-19(24)15-10-8-9-11-16(15)20(25)21(17)26/h8-11,26H,4-7,12-14H2,1-3H3
InChIKey KYGCVUPAWCFLFO-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dVUap97JsN
Name 3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-4-5-6-7-12-18(23)27-14-22(2,3)13-17-19(24)15-10-8-9-11-16(15)20(25)21(17)26/h8-11,26H,4-7,12-14H2,1-3H3
InChIKey KYGCVUPAWCFLFO-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES OC1=C(C(c2c(cccc2)C1=O)=O)CC(COC(=O)CCCCCC)(C)C
SPLASH splash10-03di-0920000000-8fb2e0d03f8904b25c09
Source of Spectrum EMC-60-281-18e
Wiley ID 1735429