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(R,S)-4-Methoxy-3-[2-(S)-(1-methoxymethoxypropyl)phenylselenyl]-4-phenylbutyric acid
SpectraBase Compound ID J6ULkPAB0OB
InChI InChI=1S/C22H28O5Se/c1-4-18(27-15-25-2)17-12-8-9-13-19(17)28-20(14-21(23)24)22(26-3)16-10-6-5-7-11-16/h5-13,18,20,22H,4,14-15H2,1-3H3,(H,23,24)/t18?,20-,22-/m1/s1
InChIKey UYYYNZKPPPPMSW-KXBOQVSUSA-N
Mol Weight 451.43 g/mol
Molecular Formula C22H28O5Se
Exact Mass 452.110196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38eTWwpIMS
Name (R,S)-4-Methoxy-3-[2-(S)-(1-methoxymethoxypropyl)phenylselenyl]-4-phenylbutyric acid
Alternate Name(s) (3R,4R)-4-methoxy-3-({2-[1-(methoxymethoxy)propyl]phenyl}selanyl)-4-phenylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5Se
InChI InChI=1S/C22H28O5Se/c1-4-18(27-15-25-2)17-12-8-9-13-19(17)28-20(14-21(23)24)22(26-3)16-10-6-5-7-11-16/h5-13,18,20,22H,4,14-15H2,1-3H3,(H,23,24)/t18?,20-,22-/m1/s1
InChIKey UYYYNZKPPPPMSW-KXBOQVSUSA-N
Molecular Weight 451.433 g/mol
SMILES OC(C[C@@]([Se]c1c(C(OCOC)CC)cccc1)([C@@](c1ccccc1)(OC)[H])[H])=O
SPLASH splash10-006t-5900000000-529e7f2de8d8b5359342
Source of Spectrum QE-8-1132-16
Wiley ID 1557315