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Pimelic acid, 2-chloro-5-methylphenyl isopropyl ester
SpectraBase Compound ID GQPIQxxYOzw
InChI InChI=1S/C17H23ClO4/c1-12(2)21-16(19)7-5-4-6-8-17(20)22-15-11-13(3)9-10-14(15)18/h9-12H,4-8H2,1-3H3
InChIKey HHWDDKBKISSRCX-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E4fTyfdHnT
Name Pimelic acid, 2-chloro-5-methylphenyl isopropyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-12(2)21-16(19)7-5-4-6-8-17(20)22-15-11-13(3)9-10-14(15)18/h9-12H,4-8H2,1-3H3
InChIKey HHWDDKBKISSRCX-UHFFFAOYSA-N
Molecular Weight 326.820 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OC(C)C)=O
SPLASH splash10-0006-5900000000-036acf5b5be8c54f7ef1
Source of Spectrum TIPS-2022-748-0
Wiley ID 1822265