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5-Benzyloxy-2-[13C]-pentanoic acid

View entire compound with spectra: 1 MS (GC)

5-Benzyloxy-2-[13C]-pentanoic acid
SpectraBase Compound ID Jutfp3pQazS
InChI InChI=1S/C12H16O3/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)/i6+1
InChIKey MXXWSDBAURXMNQ-PTQBSOBMSA-N
Mol Weight 209.25 g/mol
Molecular Formula C1113CH16O3
Exact Mass 209.113299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzadfeQWFw4
Name 5-Benzyloxy-2-[13C]-pentanoic acid
Comments Original formula: C11[13C]H16O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)/i6+1
InChIKey MXXWSDBAURXMNQ-PTQBSOBMSA-N
Molecular Weight 209.249 g/mol
SMILES OC(CCCCOCc1[13cH]cccc1)=O
SPLASH splash10-0006-9300000000-b8bdf4e2afcf980733cd
Source of Spectrum F-38-1655-0
Wiley ID 1207007