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6,7,8,9-tetrahydro-syn-10-nitro-7-oxo-5,9-methano-5h-benzocyclohepten-anti-10-propansaure-methylester
SpectraBase Compound ID 9r827RBxdc8
InChI InChI=1S/C16H17NO5/c1-22-15(19)6-7-16(17(20)21)13-8-10(18)9-14(16)12-5-3-2-4-11(12)13/h2-5,13-14H,6-9H2,1H3
InChIKey OWKQRKHBSITVIC-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FipEKRHq7a8
Name 6,7,8,9-tetrahydro-syn-10-nitro-7-oxo-5,9-methano-5h-benzocyclohepten-anti-10-propansaure-methylester
Alternate Name(s) Methyl 3-(12-nitro-10-oxotricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-12-yl)propanoate
CAS Registry Number 101542-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-22-15(19)6-7-16(17(20)21)13-8-10(18)9-14(16)12-5-3-2-4-11(12)13/h2-5,13-14H,6-9H2,1H3
InChIKey OWKQRKHBSITVIC-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES C1(N(=O)=O)(C2c3ccccc3C1CC(=O)C2)CCC(=O)OC
SPLASH splash10-0ar3-0930000000-138060dcfb20e638dec5
Source of Spectrum K-119-1971-6
Wiley ID 1305557