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Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID DinOn3vOw9K
InChI InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1
InChIKey MPTCBJSPQVJIPZ-RRFJBIMHSA-N
Mol Weight 338.41 g/mol
Molecular Formula C16H26N4O4
Exact Mass 338.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu1tmOcrvAV
Name Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-cyclohex-1-ene-1-carboxylate
Alternate Name(s) (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)cyclohexene-1-carboxylate Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-pentan-3-yloxy-cyclohexene-1-carboxylate
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Formula C16H26N4O4
InChI InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1
InChIKey MPTCBJSPQVJIPZ-RRFJBIMHSA-N
Molecular Weight 338.408 g/mol
SMILES N([C@@]1([C@](CC(=C[C@]1(OC(CC)CC)[H])C(=O)OCC)(N=[N+]=[N-])[H])[H])C(=O)C
SPLASH splash10-0hng-2960000000-c94060c670efc302a69b
Source of Spectrum QC-20-127-12
Wiley ID 1688018