Debug Info

object
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_id
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GmzvOROf0Mb
spectrumID
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GmzvOROf0Mb
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specType
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131072
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MS (GC)
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Mass Spectrum (GC)
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Heptanoic acid
SpectraBase Compound ID 1QijH6FXjYY
InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey MNWFXJYAOYHMED-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmzvOROf0Mb
Name Heptanoic Acid
CAS Registry Number 111-14-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey MNWFXJYAOYHMED-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES OC(CCCCCC)=O
SPLASH splash10-01vo-9000000000-ba608379cde54e669fa2
Source of Spectrum LQ-1992-3057-0
Synonyms 1-Heptanoic acid 1-Hexanecarboxylic acid Enanthic acid Enanthylic acid Hepthlic acid Heptoic acid Heptylic acid Hexacid C-7 n-Heptanoic acid n-Heptoic acid n-Heptylic acid Oenanthic acid Oenanthylic acid AI3-02073 BRN 1744723 CCRIS 6042 EINECS 203-838-7 FEMA NO. 3348 HSDB 5546 NSC 2192
Wiley ID 1132640
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