Debug Info

object
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_id
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DmY6gRdwpmR
spectrumID
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DmY6gRdwpmR
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specType
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Mass Spectrum (GC)
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1-Heptanol
SpectraBase Compound ID 1hLCYr0I9Tp
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmY6gRdwpmR
Name Heptanol
CAS Registry Number 111-70-6
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 116.120115134 u
Formula C7H16O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
Nominal Mass 116 u
Number of Peaks 54
SMILES OCCCCCCC
SPLASH splash10-052f-9000000000-a8cee77a3260ab414d64
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001677
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