Debug Info

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EBY1YkTYTBV
spectrumID
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EBY1YkTYTBV
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Mass Spectrum (GC)
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Isovaleric acid, pentyl ester
SpectraBase Compound ID LmnluLLh2Zn
InChI InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey QURFFFCYNQXLCU-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBY1YkTYTBV
Name Butanoic acid, 3-methyl-, pentyl ester
CAS Registry Number 25415-62-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey QURFFFCYNQXLCU-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCCCOC(=O)CC(C)C
SPLASH splash10-05g3-9000000000-84d33dbfa0401a1e60d7
Source of Spectrum JZ-1992-3716-0
Synonyms Isovaleric acid, pentyl ester Pentyl 3-methylbutanoate 1-Pentyl isovalerate 3-Methylbutanoic acid pentyl ester 3-Methylbutyric acid amyl ester Amyl isovalerate N-Amyl iso-valerate Pentyl 3-methylbutyrate Pentyl isovalerate AI3-33587 EINECS 246-954-3 NSC 46107
Wiley ID 1169049
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