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(2S*)-2-[Octahydro-7',8',8'-trimethyl-4',7'-methano-2'-benzofuranyl)oxy]-3-[2"-(3"'-phenylpropionyl)phenoxy]-propionitrile

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(2S*)-2-[Octahydro-7',8',8'-trimethyl-4',7'-methano-2'-benzofuranyl)oxy]-3-[2"-(3"'-phenylpropionyl)phenoxy]-propionitrile
SpectraBase Compound ID LxFv1NPtmNV
InChI InChI=1S/C30H35NO4/c1-29(2)24-15-16-30(29,3)28-23(24)17-27(35-28)34-21(18-31)19-33-26-12-8-7-11-22(26)25(32)14-13-20-9-5-4-6-10-20/h4-12,21,23-24,27-28H,13-17,19H2,1-3H3/t21?,23?,24-,27?,28?,30+/m1/s1
InChIKey WQRUIMUPJFBANE-KRYGPGBJSA-N
Mol Weight 473.6 g/mol
Molecular Formula C30H35NO4
Exact Mass 473.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38MrzaejQ9o
Name (2S*)-2-[Octahydro-7',8',8'-trimethyl-4',7'-methano-2'-benzofuranyl)oxy]-3-[2"-(3"'-phenylpropionyl)phenoxy]-propionitrile
Alternate Name(s) (2R*)-2-[Octahydro-7',8',8'-trimethyl-4',7'-methano-2'-benzofuranyl)oxy]-3-[2''-(3'''-phenylpropionyl)phenoxy]-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35NO4
InChI InChI=1S/C30H35NO4/c1-29(2)24-15-16-30(29,3)28-23(24)17-27(35-28)34-21(18-31)19-33-26-12-8-7-11-22(26)25(32)14-13-20-9-5-4-6-10-20/h4-12,21,23-24,27-28H,13-17,19H2,1-3H3/t21?,23?,24-,27?,28?,30+/m1/s1
InChIKey WQRUIMUPJFBANE-KRYGPGBJSA-N
Molecular Weight 473.613 g/mol
SMILES [C@]12(C3C(CC(O3)OC(C#N)COc3c(C(=O)CCc4ccccc4)cccc3)[C@](C2(C)C)(CC1)[H])C
SPLASH splash10-004u-3910000000-f71af5aeb728dd19b7dc
Source of Spectrum D8-327-694-8
Wiley ID 1515479