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9aR*,9bS*-5a-aza-2,5,6,7,8,9a,9b-octahydro-3-methyl-5-oxo-4-oxa-1H-benz[c,d]azulene
SpectraBase Compound ID 4anhNvqrBSd
InChI InChI=1S/C12H17NO2/c1-8-10-6-5-9-4-2-3-7-13(11(9)10)12(14)15-8/h9,11H,2-7H2,1H3
InChIKey KLKWMZSSPNPJDR-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jgbssoa04LV
Name 9aR*,9bS*-5a-aza-2,5,6,7,8,9a,9b-octahydro-3-methyl-5-oxo-4-oxa-1H-benz[c,d]azulene
CAS Registry Number 124943-91-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-8-10-6-5-9-4-2-3-7-13(11(9)10)12(14)15-8/h9,11H,2-7H2,1H3
InChIKey KLKWMZSSPNPJDR-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C1(N2C3C(CCC3CCCC2)=C(O1)C)=O
SPLASH splash10-000i-0930000000-17d37060d03bccc0eb21
Source of Spectrum J-55-1457-66
Synonyms 3-methyl-1,2,6,7,8,9,9a,9b-octahydro-4-oxa-5a-azabenzo[cd]azulen-5-one
Wiley ID 1205873