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Benzoicacid,pentyl ester
SpectraBase Compound ID Lh2k4kuaZjM
InChI InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey QKNZNUNCDJZTCH-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 5144TKW5pDw
Name Pentyl benzoate
CAS Registry Number 2049-96-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey QKNZNUNCDJZTCH-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Number of Peaks 100
SMILES C(OCCCCC)(=O)c1ccccc1
SPLASH splash10-05i0-8900000000-deea40d260e0e717fd22
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001080