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6-(1-Methyltridecyl)-3-methylcaprolactone
SpectraBase Compound ID Oa95I06U00
InChI InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)20-16-15-18(2)17-21(22)23-20/h18-20H,4-17H2,1-3H3
InChIKey CNZARHKAFFPIKH-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvdT8mlmLzx
Name 6-(1-Methyltridecyl)-3-methylcaprolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)20-16-15-18(2)17-21(22)23-20/h18-20H,4-17H2,1-3H3
InChIKey CNZARHKAFFPIKH-UHFFFAOYSA-N
Molecular Weight 324.549 g/mol
SMILES C1(OC(CCC(C1)C)C(CCCCCCCCCCCC)C)=O
SPLASH splash10-004j-6900000000-8d300a0a4d1ba40ddd00
Source of Spectrum I-69-1106-10
Synonyms 4-Methyl-7-(1-methyltridecyl)-2-oxepanone
Wiley ID 1323661