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(3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester
SpectraBase Compound ID 74eOgEkwsvB
InChI InChI=1S/C19H32N2O4/c1-6-10-20-16-11-14(19(23)24-9-4)12-17(18(16)21-13(5)22)25-15(7-2)8-3/h6,12,15-18,20H,1,7-11H2,2-5H3,(H,21,22)/t16-,17+,18+/m0/s1
InChIKey YAYJVAVBLBKVLR-RCCFBDPRSA-N
Mol Weight 352.5 g/mol
Molecular Formula C19H32N2O4
Exact Mass 352.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vsp6duvvLY
Name (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32N2O4
InChI InChI=1S/C19H32N2O4/c1-6-10-20-16-11-14(19(23)24-9-4)12-17(18(16)21-13(5)22)25-15(7-2)8-3/h6,12,15-18,20H,1,7-11H2,2-5H3,(H,21,22)/t16-,17+,18+/m0/s1
InChIKey YAYJVAVBLBKVLR-RCCFBDPRSA-N
Molecular Weight 352.475 g/mol
SMILES N([C@@]1([C@]([C@@](C=C(C1)C(=O)OCC)(OC(CC)CC)[H])(NC(=O)C)[H])[H])CC=C
SPLASH splash10-0a4l-0490000000-6ce195ed48b5e70a0bad
Source of Spectrum J-66-2049-18
Synonyms (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Ethyl (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylate Ethyl (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate
Wiley ID 1534843