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2-(Benzoyloxy)heptanoic acid

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2-(Benzoyloxy)heptanoic acid
SpectraBase Compound ID 40mJYkZTWEl
InChI InChI=1S/C14H18O4/c1-2-3-5-10-12(13(15)16)18-14(17)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H,15,16)
InChIKey PBQPSEYLVRIDJC-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 4L0OENxDXR7
Name 2-(benzoyloxy)heptanoic acid
CAS Registry Number 125303-59-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-3-5-10-12(13(15)16)18-14(17)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H,15,16)
InChIKey PBQPSEYLVRIDJC-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OC(C(OC(=O)c1ccccc1)CCCCC)=O
SPLASH splash10-056r-6900000000-12bb6a0023cebf53ef21
Source of Spectrum J-55-1931-17
Wiley ID 1253345