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1,8-Nonadiyne-1,2,8,9-13C4
SpectraBase Compound ID KLpKJohJ0kr
InChI InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2/i1+1,2+1,3+1,4+1
InChIKey DMOVPHYFYSASTC-JCDJMFQYSA-N
Mol Weight 124.16 g/mol
Molecular Formula C513C4H12
Exact Mass 124.10732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6fxipMOMNs
Name 1,8-Nonadiyne-1,2,8,9-13C4
CAS Registry Number 97584-60-6
Comments Original formula: C5[13C]4H12
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2/i1+1,2+1,3+1,4+1
InChIKey DMOVPHYFYSASTC-JCDJMFQYSA-N
Molecular Weight 124.164 g/mol
SMILES [13CH]#[13C]CCCCC[13C]#[13CH]
SPLASH splash10-001j-9100000000-3a58a776fd564b63ed5b
Source of Spectrum O-20-190-3
Synonyms 1,2,8,9-¹³C-1,8-nonadiyne
Wiley ID 1127408