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5H-4-Oxa-5a-azabenz[cd]azulen-5-one, 1,2,6,7,8,9,9a,9b-octahydro-3,9a-dimethyl-, cis-
SpectraBase Compound ID KIEADDqyB2H
InChI InChI=1S/C13H19NO2/c1-9-10-5-7-13(2)6-3-4-8-14(11(10)13)12(15)16-9/h5,7,9-11H,3-4,6,8H2,1-2H3/t9?,10?,11-,13-/m1/s1
InChIKey AZZDCBDFXGDUMA-FFJHZOIPSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lv98DFKu6v2
Name 5H-4-Oxa-5a-azabenz[cd]azulen-5-one, 1,2,6,7,8,9,9a,9b-octahydro-3,9a-dimethyl-, cis-
Alternate Name(s) (9aR*,9bR*)-5a-aza-2,4,5,6,7,8,9,9b-octahydro-3,9a-di-methyl-5-oxo-4-oxa-1H-benz[c,d]azulene (9aR,9bR)-3,9a-dimethyl-2a,3,6,7,8,9,9a,9b-octahydro-4-oxa-5a-azabenzo[cd]azulen-5-one
CAS Registry Number 124943-98-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-9-10-5-7-13(2)6-3-4-8-14(11(10)13)12(15)16-9/h5,7,9-11H,3-4,6,8H2,1-2H3/t9?,10?,11-,13-/m1/s1
InChIKey AZZDCBDFXGDUMA-FFJHZOIPSA-N
Molecular Weight 221.300 g/mol
SMILES C1(N2[C@]3([C@](C=CC3C(O1)C)(C)CCCC2)[H])=O
SPLASH splash10-006x-0970000000-16403b48817622a45ba6
Source of Spectrum J-55-1457-72
Wiley ID 1221412