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PHENYLACYL-OMEGA-CYCLOHEPTYLUNDECANOATE
SpectraBase Compound ID 30hWSpYqsUF
InChI InChI=1S/C26H40O3/c27-25(24-19-13-9-14-20-24)22-29-26(28)21-15-6-4-2-1-3-5-10-16-23-17-11-7-8-12-18-23/h9,13-14,19-20,23H,1-8,10-12,15-18,21-22H2
InChIKey XTDPDKYJTZDVGU-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNQcr38MhY9
Name 11-cycloheptylundecanoic acid phenacyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O3
InChI InChI=1S/C26H40O3/c27-25(24-19-13-9-14-20-24)22-29-26(28)21-15-6-4-2-1-3-5-10-16-23-17-11-7-8-12-18-23/h9,13-14,19-20,23H,1-8,10-12,15-18,21-22H2
InChIKey XTDPDKYJTZDVGU-UHFFFAOYSA-N
Molecular Weight 400.603 g/mol
SMILES C(COC(=O)CCCCCCCCCCC1CCCCCC1)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-60e9b0109b65c3ae1f41
Source of Spectrum J-62-2183-1
Synonyms phenacyl 11-cycloheptylundecanoate
Wiley ID 1369650