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3,3-Dimethylbutanoic acid, 2-(phenylselenyl)-, 1-methylheptyl ester
SpectraBase Compound ID ABSmdbkERJg
InChI InChI=1S/C20H32O2Se/c1-6-7-8-10-13-16(2)22-19(21)18(20(3,4)5)23-17-14-11-9-12-15-17/h9,11-12,14-16,18H,6-8,10,13H2,1-5H3
InChIKey HUGIIIDEIHBIFU-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C20H32O2Se
Exact Mass 384.156752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20NAIPbf0Iv
Name 3,3-Dimethylbutanoic acid, 2-(phenylselenyl)-, 1-methylheptyl ester
Alternate Name(s) 1-Methylheptyl 3,3-dimethyl-2-phenylselanyl-butanoate 3,3-Dimethyl-2-(phenylseleno)butanoic acid octan-2-yl ester 3,3-Dimethyl-2-(phenylseleno)butyric acid 1-methylheptyl ester Octan-2-yl 3,3-dimethyl-2-phenylselanyl-butanoate
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Formula C20H32O2Se
InChI InChI=1S/C20H32O2Se/c1-6-7-8-10-13-16(2)22-19(21)18(20(3,4)5)23-17-14-11-9-12-15-17/h9,11-12,14-16,18H,6-8,10,13H2,1-5H3
InChIKey HUGIIIDEIHBIFU-UHFFFAOYSA-N
Molecular Weight 383.446 g/mol
SMILES c1(ccccc1)[Se]C(C(C)(C)C)C(=O)OC(C)CCCCCC
SPLASH splash10-0aou-9310000000-478f29bd72b5dd5753ac
Wiley ID 1474323