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trans-6-Oxospiro[4.4]nona-2,7-dien-1-yl p-nitrobenzoate
SpectraBase Compound ID 8djoLELbqiN
InChI InChI=1S/C16H13NO5/c18-13-3-1-9-16(13)10-2-4-14(16)22-15(19)11-5-7-12(8-6-11)17(20)21/h1-8,14H,9-10H2/t14-,16+/m1/s1
InChIKey JQBSHOSIXHRXRN-ZBFHGGJFSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j4u4DQELo
Name trans-6-Oxospiro[4.4]nona-2,7-dien-1-yl p-nitrobenzoate
Alternate Name(s) (1R,5S)-6-oxospiro[4.4]nona-2,7-dien-1-yl 4-nitrobenzoate 4-Nitro-benzoic acid (1R,5S)-6-oxo-spiro[4.4]nona-2,7-dien-1-yl ester
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Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c18-13-3-1-9-16(13)10-2-4-14(16)22-15(19)11-5-7-12(8-6-11)17(20)21/h1-8,14H,9-10H2/t14-,16+/m1/s1
InChIKey JQBSHOSIXHRXRN-ZBFHGGJFSA-N
Molecular Weight 299.282 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]2([C@]3(C(C=CC3)=O)CC=C2)[H])=O)cc1
SPLASH splash10-0udi-1900000000-7ef65038c80a329989e5
Source of Spectrum F-55-6709-7
Wiley ID 838009