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[1R*,2R*]-2-acetoxy-1-acetyl-3-cyclohexen-1-yl p-nitrobenzoate
SpectraBase Compound ID KbiRBaOpCVW
InChI InChI=1S/C17H17NO7/c1-11(19)17(10-4-3-5-15(17)24-12(2)20)25-16(21)13-6-8-14(9-7-13)18(22)23/h3,5-9,15H,4,10H2,1-2H3/t15-,17+/m1/s1
InChIKey NHDAFLSSSMLBCT-WBVHZDCISA-N
Mol Weight 347.32 g/mol
Molecular Formula C17H17NO7
Exact Mass 347.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAa3Y22sbNT
Name [1R*,2R*]-2-acetoxy-1-acetyl-3-cyclohexen-1-yl p-nitrobenzoate
Alternate Name(s) (1R,2R)-1-acetyl-2-(acetyloxy)-3-cyclohexen-1-yl 4-nitrobenzoate 4-Nitrobenzoic acid[(1R,2R)-1-acetyl-2-acetyloxy-1-cyclohex-3-enyl]ester 4-Nitrobenzoic acid[(1R,2R)-2-acetoxy-1-acetyl-cyclohex-3-en-1-yl]ester [(1R,2R)-1-acetyl-2-acetyloxycyclohex-3-en-1-yl]4-nitrobenzoate [(1R,2R)-2-acetoxy-1-acetyl-cyclohex-3-en-1-yl]4-nitrobenzoate [(1R,2R)-2-acetyloxy-1-ethanoyl-cyclohex-3-en-1-yl]4-nitrobenzoate 4-Nitrobenzoic acid [(1R,2R)-1-acetyl-2-acetyloxy-1-cyclohex-3-enyl] ester [(1R,2R)-1-acetyl-2-acetyloxycyclohex-3-en-1-yl] 4-nitrobenzoate [(1R,2R)-2-acetoxy-1-acetyl-cyclohex-3-en-1-yl] 4-nitrobenzoate [(1R,2R)-2-acetyloxy-1-ethanoyl-cyclohex-3-en-1-yl] 4-nitrobenzoate
CAS Registry Number 111945-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO7
InChI InChI=1S/C17H17NO7/c1-11(19)17(10-4-3-5-15(17)24-12(2)20)25-16(21)13-6-8-14(9-7-13)18(22)23/h3,5-9,15H,4,10H2,1-2H3/t15-,17+/m1/s1
InChIKey NHDAFLSSSMLBCT-WBVHZDCISA-N
Molecular Weight 347.323 g/mol
SMILES [C@@]1(OC(c2ccc(N(=O)=O)cc2)=O)([C@](OC(=O)C)(C=CCC1)[H])C(=O)C
SPLASH splash10-0udi-2910000000-c0b8c1176f58cbd40539
Source of Spectrum J-55-1033-18
Wiley ID 1339948