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1-Heptyne

View entire compound with spectra: 25 NMR, 10 FTIR, 2 Raman, 8 MS (GC), and 2 Near IR

1-Heptyne
SpectraBase Compound ID H31quK3rMAI
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChIKey YVXHZKKCZYLQOP-UHFFFAOYSA-N
Mol Weight 96.17 g/mol
Molecular Formula C7H12
Exact Mass 96.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYcNK3v3f6t
Name 1-HEPTYNE
CAS Registry Number 628-71-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChIKey YVXHZKKCZYLQOP-UHFFFAOYSA-N
Literature Reference Author E.LIPPMAA,T.PEHK
Literature Reference Citation KEEM.GEOL.,17,294(1968)
Literature Reference DOI 10.2337/diab.17.5.290
Molecular Weight 96.172 g/mol
Solvent NEAT
Source File Reference UNIW9999