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1-Pentalenecarboxylic acid, 3-(chloromethyl)octahydro-, methyl ester
SpectraBase Compound ID AtW7ujMZUl7
InChI InChI=1S/C11H17ClO2/c1-14-11(13)10-5-7(6-12)8-3-2-4-9(8)10/h7-10H,2-6H2,1H3
InChIKey KJWNFBGUUYMHIP-UHFFFAOYSA-N
Mol Weight 216.71 g/mol
Molecular Formula C11H17ClO2
Exact Mass 216.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpJYiTon1gN
Name 1-Pentalenecarboxylic acid, 3-(chloromethyl)octahydro-, methyl ester
CAS Registry Number 54815-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17ClO2
InChI InChI=1S/C11H17ClO2/c1-14-11(13)10-5-7(6-12)8-3-2-4-9(8)10/h7-10H,2-6H2,1H3
InChIKey KJWNFBGUUYMHIP-UHFFFAOYSA-N
Molecular Weight 216.708 g/mol
SMILES C1(CC(C2CCCC12)CCl)C(=O)OC
SPLASH splash10-0ab9-9800000000-32d6337ea984351684b8
Source of Spectrum JX-2015-6-4867
Synonyms Methyl 3-(chloromethyl)octahydro-1-pentalenecarboxylate 3-(chloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid methyl ester Methyl 3-(chloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate Methyl 3-(chloromethyl)octahydropentalene-1-carboxylate
Wiley ID 1728949