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Hexyl hexanoate

View entire compound with spectra: 2 NMR, 6 FTIR, 1 Raman, and 21 MS (GC)

Hexyl hexanoate
SpectraBase Compound ID 5VTwlyuGojE
InChI InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKey NCDCLPBOMHPFCV-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApUQRG4CtZv
Name HEXANOIC ACID, HEXYL ESTER
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKey NCDCLPBOMHPFCV-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
Nominal Mass 200 u
Number of Peaks 59
SMILES C(CC)CCC(OCCCCCC)=O
SPLASH splash10-052f-9100000000-e348e981b2c302aec534
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000378