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Pimelic acid, 2-(tert-butyl)cyclohexyl methyl ester isomer 1
SpectraBase Compound ID 99SBYvsvVAY
InChI InChI=1S/C18H32O4/c1-18(2,3)14-10-8-9-11-15(14)22-17(20)13-7-5-6-12-16(19)21-4/h14-15H,5-13H2,1-4H3
InChIKey KDYJIMVVENXLNK-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uuCYIwVEmx
Name Pimelic acid, 2-(tert-butyl)cyclohexyl methyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-18(2,3)14-10-8-9-11-15(14)22-17(20)13-7-5-6-12-16(19)21-4/h14-15H,5-13H2,1-4H3
InChIKey KDYJIMVVENXLNK-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OC)=O
SPLASH splash10-0a4i-7900000000-14d2bc64a978884b3f6a
Source of Spectrum TIPS-2022-654-0
Wiley ID 1822171