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2-Hexan-3-yloxycarbonylbenzoic acid
SpectraBase Compound ID 2eyVklp6Gfd
InChI InChI=1S/C14H18O4/c1-3-7-10(4-2)18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,16)
InChIKey ABYCGAKJMGFSPY-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 9pAT6buOgzP
Name 2-Hexan-3-yloxycarbonylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-7-10(4-2)18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,16)
InChIKey ABYCGAKJMGFSPY-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OC(c1c(C(OC(CC)CCC)=O)cccc1)=O
SPLASH splash10-0002-7900000000-08048e84b1b2a493b22a
Source of Spectrum E-31-2079-46
Synonyms 2-[hexan-3-yloxy(oxo)methyl]benzoic acid
Wiley ID 1253268