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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 DkIEN9QvzN2
Name Pentyl benzoate
CAS Registry Number 2049-96-9
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
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
Ionization Type Electron Ionization (EI)
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Quality 990
Retention Index 1458
SMILES C=1(C(OCCCCC)=O)C=CC=CC1
SPLASH splash10-05i0-8900000000-02f83772dee88a15667a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoicacid,pentyl ester
Technique GC/MS
Wiley ID DD2024_034118