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(4aS)-1,2,4a-Trimethyl-1-[2'-(furan-3''-yl)ethyl]-5-(iodomethyl)-perhydro-naphthalene
SpectraBase Compound ID AsdOMtNACYV
InChI InChI=1S/C20H31IO/c1-15-7-10-20(3)17(13-21)5-4-6-18(20)19(15,2)11-8-16-9-12-22-14-16/h9,12,14-15,17-18H,4-8,10-11,13H2,1-3H3/t15?,17?,18?,19?,20-/m1/s1
InChIKey LJZWKUHYTCTVFZ-ZTRUPYCCSA-N
Mol Weight 414.37 g/mol
Molecular Formula C20H31IO
Exact Mass 414.141961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvnJmmfMiWj
Name (4aS)-1,2,4a-Trimethyl-1-[2'-(furan-3''-yl)ethyl]-5-(iodomethyl)-perhydro-naphthalene
Alternate Name(s) 1,2,4a-Trimethyl-1-[2'-(furan-3''-yl)ethyl]-5-(iodomethyl)-perhydro-naphthalene 3-{2-[(4aS)-5-(iodomethyl)-1,2,4a-trimethyldecahydro-1-naphthalenyl]ethyl}furan
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Formula C20H31IO
InChI InChI=1S/C20H31IO/c1-15-7-10-20(3)17(13-21)5-4-6-18(20)19(15,2)11-8-16-9-12-22-14-16/h9,12,14-15,17-18H,4-8,10-11,13H2,1-3H3/t15?,17?,18?,19?,20-/m1/s1
InChIKey LJZWKUHYTCTVFZ-ZTRUPYCCSA-N
Molecular Weight 414.371 g/mol
SMILES [C@]12(C(C(CCc3cocc3)(C)C(CC1)C)CCCC2CI)C
SPLASH splash10-015a-9403100000-641138269a9f718eef4c
Source of Spectrum OL-17-419-6
Wiley ID 1612048