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(S)-(4-butoxyphenyl)(1-phthalimdoethyl)-ketone
SpectraBase Compound ID 3iDrJsNx78l
InChI InChI=1S/C21H21NO4/c1-3-4-13-26-16-11-9-15(10-12-16)19(23)14(2)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-12,14H,3-4,13H2,1-2H3/t14-/m0/s1
InChIKey VUDXKAQOZHKFBM-AWEZNQCLSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4LGaeiYowO
Name (S)-(4-butoxyphenyl)(1-phthalimdoethyl)-ketone
Alternate Name(s) 2-[(1S)-2-(4-butoxyphenyl)-1-methyl-2-oxoethyl]-1H-isoindole-1,3(2H)-dione 2-[(2S)-1-(4-butoxyphenyl)-1-oxopropan-2-yl]isoindole-1,3-dione 2-[(1S)-2-(4-butoxyphenyl)-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione 2-[(2S)-1-(4-butoxyphenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione
CAS Registry Number 111114-16-0
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-3-4-13-26-16-11-9-15(10-12-16)19(23)14(2)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-12,14H,3-4,13H2,1-2H3/t14-/m0/s1
InChIKey VUDXKAQOZHKFBM-AWEZNQCLSA-N
Molecular Weight 351.402 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(c1ccc(cc1)OCCCC)=O)(C)[H])=O
SPLASH splash10-004i-0900000000-7bbccc155b5f9c67b5bd
Source of Spectrum K-121-123-0
Wiley ID 1342675