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1-Azuleneacetic acid, 2,3,3a,4,5,6,7,8-octahydro-3a-methyl-4,7-dioxo-, methyl ester
SpectraBase Compound ID ADqu1etlgTS
InChI InChI=1S/C14H18O4/c1-14-6-5-9(7-13(17)18-2)11(14)8-10(15)3-4-12(14)16/h3-8H2,1-2H3
InChIKey NIUYGQMTVNXFSM-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iPZYECSrd4
Name 1-Azuleneacetic acid, 2,3,3a,4,5,6,7,8-octahydro-3a-methyl-4,7-dioxo-, methyl ester
CAS Registry Number 82201-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14-6-5-9(7-13(17)18-2)11(14)8-10(15)3-4-12(14)16/h3-8H2,1-2H3
InChIKey NIUYGQMTVNXFSM-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C=12C(C(=O)CCC(C2)=O)(CCC1CC(=O)OC)C
SPLASH splash10-0a4j-0910000000-139d7674ffa4d8c0c155
Source of Spectrum F-43-5600-6
Synonyms 1-Methyl-8-carbomethoxymethylbicyclo[5.3.0]dec-7-ene-2,5-dione Methyl (3a-methyl-4,7-dioxo-2,3,3a,4,5,6,7,8-octahydro-1-azulenyl)acetate
Wiley ID 1253324