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(2-oxidanylidenecyclohexyl) 4-nitrobenzoate
SpectraBase Compound ID Db2AZSHYc1O
InChI InChI=1S/C13H13NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h5-8,12H,1-4H2
InChIKey BONNSVDETVFMTJ-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C13H13NO5
Exact Mass 263.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17kb1cCvLKX
Name (2-oxidanylidenecyclohexyl) 4-nitrobenzoate
Alternate Name(s) (2-oxocyclohexyl) 4-nitrobenzoate 4-Nitrobenzoic acid (2-ketocyclohexyl) ester 4-Nitrobenzoic acid (2-oxocyclohexyl) ester
CAS Registry Number 66049-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h5-8,12H,1-4H2
InChIKey BONNSVDETVFMTJ-UHFFFAOYSA-N
Molecular Weight 263.249 g/mol
SMILES c1(N(=O)=O)ccc(C(OC2C(=O)CCCC2)=O)cc1
SPLASH splash10-0udi-2900000000-04e09ab8cab959119d39
Source of Spectrum KC-1977-17-1896
Wiley ID 1266779