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1H,3H-2-Oxa-8a-azacyclopent[cd]azulen-1-one, octahydro-2a-methoxy-, (2a.alpha.,4a.beta.,8b.alpha.)-
SpectraBase Compound ID JYIg5sx4IBN
InChI InChI=1S/C11H17NO3/c1-14-11-6-5-8-4-2-3-7-12(9(8)11)10(13)15-11/h8-9H,2-7H2,1H3/t8-,9-,11-/m0/s1
InChIKey PBCDUJKORRPFRC-QXEWZRGKSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9N3dZQ3Pag
Name 1H,3H-2-Oxa-8a-azacyclopent[cd]azulen-1-one, octahydro-2a-methoxy-, (2a.alpha.,4a.beta.,8b.alpha.)-
CAS Registry Number 124944-09-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-14-11-6-5-8-4-2-3-7-12(9(8)11)10(13)15-11/h8-9H,2-7H2,1H3/t8-,9-,11-/m0/s1
InChIKey PBCDUJKORRPFRC-QXEWZRGKSA-N
Molecular Weight 211.261 g/mol
SMILES [C@@]12(OC(=O)N3[C@]2([C@](CCCC3)([H])CC1)[H])OC
SPLASH splash10-000i-0900000000-34f3e3f64cf7321711a8
Source of Spectrum J-55-1458-85
Synonyms (2aS,4aS,8bS)-2a-methoxyoctahydro-2aH-2-oxa-8a-azacyclopenta[cd]azulen-1-one 1-aza-2-oxo-3-oxa-4-methoxy-tricyclo[4.5.1.0(4,12)]dodecane
Wiley ID 1210378