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Bicyclo[2.2.1]heptan-2-one, 5-methyl-5-nitro-, endo-
SpectraBase Compound ID AxbaHeqcqsn
InChI InChI=1S/C8H11NO3/c1-8(9(11)12)4-5-2-6(8)3-7(5)10/h5-6H,2-4H2,1H3/t5-,6-,8?/m1/s1
InChIKey SMOMZIXUDXYBAT-LPBDRPKESA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkakJ1K2Rlq
Name Bicyclo[2.2.1]heptan-2-one, 5-methyl-5-nitro-, endo-
Alternate Name(s) 5-exo-methyl-5-endo-nitrobicyclo-[2.2.1]heptan-2-one 5-Methyl-5-nitrobicyclo[2.2.1]heptan-2-one
CAS Registry Number 127093-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c1-8(9(11)12)4-5-2-6(8)3-7(5)10/h5-6H,2-4H2,1H3/t5-,6-,8?/m1/s1
InChIKey SMOMZIXUDXYBAT-LPBDRPKESA-N
Molecular Weight 169.180 g/mol
SMILES C1(N(=O)=O)([C@]2(CC([C@@](C1)(C2)[H])=O)[H])C
SPLASH splash10-00ls-9100000000-1ce5daf5d9e12336377a
Source of Spectrum KC-1989-2393-5
Wiley ID 1165714