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Pimelic acid, 2,3,4,6-tetrachlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 2K6FcmsG9kC
InChI InChI=1S/C19H24Cl4O4/c1-11(2)9-12(3)26-15(24)7-5-4-6-8-16(25)27-19-14(21)10-13(20)17(22)18(19)23/h10-12H,4-9H2,1-3H3
InChIKey AOAKKKLYXFWHAE-UHFFFAOYSA-N
Mol Weight 458.2 g/mol
Molecular Formula C19H24Cl4O4
Exact Mass 456.04287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdsYDVR7mXR
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24Cl4O4
InChI InChI=1S/C19H24Cl4O4/c1-11(2)9-12(3)26-15(24)7-5-4-6-8-16(25)27-19-14(21)10-13(20)17(22)18(19)23/h10-12H,4-9H2,1-3H3
InChIKey AOAKKKLYXFWHAE-UHFFFAOYSA-N
Molecular Weight 458.209 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9711000000-2c6c1718866473a2633e
Source of Spectrum TIPS-2022-547-0
Wiley ID 1822064