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3-Phenyl-propionicacid-iso-propyl ester
SpectraBase Compound ID EjV3DYuCzEs
InChI InChI=1S/C12H16O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey YQPAOLMOGAHRLG-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ0m4ewiDZI
Name 3-Phenyl-propionicacid-iso-propyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey YQPAOLMOGAHRLG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Quality 857
Retention Index 1391
SMILES C1(CCC(OC(C)C)=O)=CC=CC=C1
SPLASH splash10-0zfu-5900000000-9d43984e3aa8179eee64
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propan-2-yl 3-phenylpropanoate
Technique GC/MS
Wiley ID DD2024_003606