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7-Isopropyl-10-methyl-3-n-octyl-2,5-dioxaspiroundecene
SpectraBase Compound ID 71x3DwC3wkm
InChI InChI=1S/C21H40O2/c1-5-6-7-8-9-10-11-19-15-22-21(23-16-19)14-18(4)12-13-20(21)17(2)3/h17-20H,5-16H2,1-4H3/t18-,19?,20+,21?/m1/s1
InChIKey NCMQGYZBWAIKME-OSIBBQKWSA-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 H7ShpnRnWyW
Name 7-Isopropyl-10-methyl-3-n-octyl-2,5-dioxaspiroundecene
CAS Registry Number 115346-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-5-6-7-8-9-10-11-19-15-22-21(23-16-19)14-18(4)12-13-20(21)17(2)3/h17-20H,5-16H2,1-4H3/t18-,19?,20+,21?/m1/s1
InChIKey NCMQGYZBWAIKME-OSIBBQKWSA-N
Molecular Weight 324.549 g/mol
SMILES C12(OCC(CO2)CCCCCCCC)[C@@](CC[C@](C1)(C)[H])(C(C)C)[H]
SPLASH splash10-0a4i-9053000000-22e3ca00c6d989a48061
Source of Spectrum J-57-1419-3
Wiley ID 1323666