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Pimelic acid, hex-3-yl hexadecyl ester
SpectraBase Compound ID 6BHzt3W7eop
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-28(30)24-20-19-21-25-29(31)33-27(6-3)23-5-2/h27H,4-26H2,1-3H3
InChIKey ZNFIRMVXSIHVGK-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AQBvir0ZhO
Name Pimelic acid, hex-3-yl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-28(30)24-20-19-21-25-29(31)33-27(6-3)23-5-2/h27H,4-26H2,1-3H3
InChIKey ZNFIRMVXSIHVGK-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(CCCCCC(OC(CCC)CC)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-6900000000-3a3cb84e6872bdcd8ab7
Source of Spectrum TIPS-2022-970-0
Wiley ID 1822487