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3-Phenyl-1,1-cyclopentanedicarboxylic acid
SpectraBase Compound ID 4U1wPhXf6yB
InChI InChI=1S/C13H14O4/c14-11(15)13(12(16)17)7-6-10(8-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)
InChIKey XZZNOUXZAKNTRE-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjubfmB5WRS
Name 3-Phenyl-1,1-cyclopentanedicarboxylic acid
Alternate Name(s) 3-Phenylcyclopentane-1,1-dicarboxylic acid
CAS Registry Number 115340-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c14-11(15)13(12(16)17)7-6-10(8-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)
InChIKey XZZNOUXZAKNTRE-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES OC(C1(C(=O)O)CC(c2ccccc2)CC1)=O
SPLASH splash10-00kf-4900000000-f186eeb2a6d2354f9f67
Source of Spectrum J-53-4024-10
Wiley ID 1235909