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Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, 4-(diethylamino)-2-butynyl-4,4-D2 ester
SpectraBase Compound ID 16I2gEB2MLu
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/i17D2
InChIKey XIQVNETUBQGFHX-FBCWWBABSA-N
Mol Weight 359.51 g/mol
Molecular Formula C22H292D2NO3
Exact Mass 359.242947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpAZMld76XA
Name Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, 4-(diethylamino)-2-butynyl-4,4-D2 ester
Alternate Name(s) 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid[4,4-dideuterio-4-(diethylamino)but-2-ynyl]ester 4-Diethylamino-2-but[4,4-2H2]ynyl 2-cyclohexyl-2-phenylglycolate [4,4-dideuterio-4-(diethylamino)but-2-ynyl]2-cyclohexyl-2-hydroxy-2-phenyl-acetate [4,4-dideuterio-4-(diethylamino)but-2-ynyl]2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [4,4-dideuterio-4-(diethylamino)but-2-ynyl] ester [4,4-dideuterio-4-(diethylamino)but-2-ynyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate [4,4-dideuterio-4-(diethylamino)but-2-ynyl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate [4,4-dideuterio-4-(diethylamino)but-2-ynyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate
CAS Registry Number 81039-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29D2NO3
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/i17D2
InChIKey XIQVNETUBQGFHX-FBCWWBABSA-N
Molecular Weight 359.506 g/mol
SMILES OC(C(=O)OCC#CC(N(CC)CC)([2D])[2D])(c1ccccc1)C1CCCCC1
SPLASH splash10-052f-4809000000-17d4a66bf3c2dd674078
Source of Spectrum KO-8-507-0
Wiley ID 1346596