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1,8-Nonadiyne-3,7-13C2
SpectraBase Compound ID IEm9fkqifzA
InChI InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2/i5+1,6+1
InChIKey DMOVPHYFYSASTC-MPOCSFTDSA-N
Mol Weight 122.18 g/mol
Molecular Formula C713C2H12
Exact Mass 122.10061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4WAUyccUMD
Name 1,8-Nonadiyne-3,7-13C2
Alternate Name(s) 3,7-¹³C-1,8-nonadiyne
CAS Registry Number 97584-59-3
Comments Original formula: C7[13C]2H12
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/i5+1,6+1
InChIKey DMOVPHYFYSASTC-MPOCSFTDSA-N
Molecular Weight 122.180 g/mol
SMILES [13CH2](C#C)CCC[13CH2]C#C
SPLASH splash10-001l-9100000000-e6b99b1c140b549683b1
Source of Spectrum O-20-190-1
Wiley ID 1127407