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6,6-Dimethyl-3-nitro-6,7,8,9-tetrahydro-5H-benzocycloocten-5-one
SpectraBase Compound ID Ic5yfiCXPDS
InChI InChI=1S/C14H17NO3/c1-14(2)8-4-3-5-10-6-7-11(15(17)18)9-12(10)13(14)16/h5-7,9,12H,3-4,8H2,1-2H3/b10-5-
InChIKey OPLNMXBGYJSELM-YHYXMXQVSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTEHkOYYav6
Name 6,6-Dimethyl-3-nitro-6,7,8,9-tetrahydro-5H-benzocycloocten-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-14(2)8-4-3-5-10-6-7-11(15(17)18)9-12(10)13(14)16/h5-7,9,12H,3-4,8H2,1-2H3/b10-5-
InChIKey OPLNMXBGYJSELM-YHYXMXQVSA-N
Molecular Weight 247.294 g/mol
SMILES C1(N(=O)=O)=CC2C(C(C)(C)CCC\C=C/2C=C1)=O
SPLASH splash10-014i-9340000000-094c0fcfdc42ffbe365f
Source of Spectrum J-59-8301-4
Synonyms 6,6-Dimethyl-3-nitro-6,7,8,9-tetrahydrobenzo[a]cycloocten-5(4aH)-one
Wiley ID 1250088