Debug Info

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2BWgjvcLHGc
spectrumID
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2BWgjvcLHGc
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Butyric acid heptyl ester
SpectraBase Compound ID zwFZfOW6N5
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChIKey JPQHLIYIQARLQM-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BWgjvcLHGc
Name Butanoic acid heptyl ester
CAS Registry Number 5870-93-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChIKey JPQHLIYIQARLQM-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES CCCCCCCOC(=O)CCC
SPLASH splash10-002f-9000000000-a9784e594d479e99750a
Source of Spectrum W5-0-0-0
Synonyms Butyric acid heptyl ester Heptyl butanoate Heptyl butyrate n-Heptyl n-butyrate AI3-21505 BRN 1760253 EINECS 227-526-5 FEMA NO. 2549
Wiley ID 1183114
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