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5-(2,5-Dimethoxyphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID KX9vwdJHQrH
InChI InChI=1S/C20H31NO3/c1-13-11-20(4,12-16-18(13)21(5)24-19(16,2)3)15-10-14(22-6)8-9-17(15)23-7/h8-10,13,16,18H,11-12H2,1-7H3
InChIKey SHKDMERAGLUAFU-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3XsBwabfsk
Name 5-(2,5-Dimethoxyphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-13-11-20(4,12-16-18(13)21(5)24-19(16,2)3)15-10-14(22-6)8-9-17(15)23-7/h8-10,13,16,18H,11-12H2,1-7H3
InChIKey SHKDMERAGLUAFU-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 333.472 g/mol
SMILES C1(CC2C(N(OC2(C)C)C)C(C1)C)(C)c1c(ccc(c1)OC)OC
SPLASH splash10-004i-0911000000-c6055bab3537a3fdf80d
Sample Comments Isomer 2
Source of Spectrum CN114761385A
Wiley ID 1884504