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1-Pentalenecarboxylic acid, octahydro-3-methyl-, methyl ester
SpectraBase Compound ID 6U0AXyPnNBx
InChI InChI=1S/C11H18O2/c1-7-6-10(11(12)13-2)9-5-3-4-8(7)9/h7-10H,3-6H2,1-2H3
InChIKey SJGBAOXNSRAMEZ-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MsFMqjtPfI
Name 1-Pentalenecarboxylic acid, octahydro-3-methyl-, methyl ester
CAS Registry Number 54644-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7-6-10(11(12)13-2)9-5-3-4-8(7)9/h7-10H,3-6H2,1-2H3
InChIKey SJGBAOXNSRAMEZ-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C(OC)(=O)C1C2C(CCC2)C(C1)C
SPLASH splash10-00lv-9600000000-7aff0c44abf66f37352c
Source of Spectrum AA-0-1246-2
Synonyms Methyl 3-methyloctahydro-1-pentalenecarboxylate 3-Methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid methyl ester Methyl 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate Methyl 3-methyloctahydropentalene-1-carboxylate
Wiley ID 18748