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[1R*,2S*]-1-acetyl-2-methoxy-3-cyclohexen-1-yl p-nitrobenzoate
SpectraBase Compound ID 8uNDleptzza
InChI InChI=1S/C16H17NO6/c1-11(18)16(10-4-3-5-14(16)22-2)23-15(19)12-6-8-13(9-7-12)17(20)21/h3,5-9,14H,4,10H2,1-2H3/t14-,16-/m0/s1
InChIKey MHRLDLRGFTXLBU-HOCLYGCPSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7F55YvZkwK
Name [1R*,2S*]-1-acetyl-2-methoxy-3-cyclohexen-1-yl p-nitrobenzoate
Alternate Name(s) (1R,2S)-1-acetyl-2-methoxy-3-cyclohexen-1-yl 4-nitrobenzoate
CAS Registry Number 111945-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-11(18)16(10-4-3-5-14(16)22-2)23-15(19)12-6-8-13(9-7-12)17(20)21/h3,5-9,14H,4,10H2,1-2H3/t14-,16-/m0/s1
InChIKey MHRLDLRGFTXLBU-HOCLYGCPSA-N
Molecular Weight 319.313 g/mol
SMILES [C@]1(OC(c2ccc(N(=O)=O)cc2)=O)(C(=O)C)[C@](C=CCC1)(OC)[H]
SPLASH splash10-0udi-3910000000-9e92cfa63e0e99534f86
Source of Spectrum J-55-1033-20
Wiley ID 1319272