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Heptadecyl 4-Methylheptanoate

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Heptadecyl 4-Methylheptanoate
SpectraBase Compound ID 4fNPfsQ6WzW
InChI InChI=1S/C25H50O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-25(26)22-21-24(3)20-5-2/h24H,4-23H2,1-3H3
InChIKey KLNSPZJFLCPFFY-UHFFFAOYSA-N
Mol Weight 382.7 g/mol
Molecular Formula C25H50O2
Exact Mass 382.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuZas8GhOnT
Name Heptadecyl 4-Methylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H50O2
InChI InChI=1S/C25H50O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-25(26)22-21-24(3)20-5-2/h24H,4-23H2,1-3H3
InChIKey KLNSPZJFLCPFFY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201600020
Molecular Weight 382.673 g/mol
SMILES C(CCC(CCC)C)(=O)OCCCCCCCCCCCCCCCCC
SPLASH splash10-0002-4900000000-91475cb1b1a230097964
Source of Spectrum CBD-13-1219-4
Wiley ID 1803582