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nan
SpectraBase Compound ID LRckfAoyLuQ
InChI InChI=1S/C7H10.C3H6O/c1-2-7-4-3-6(1)5-7;1-3-2-4-3/h1-2,6-7H,3-5H2;3H,2H2,1H3/t6-,7+;
InChIKey JHSFOXBGJLMKBW-UKMDXRBESA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfEjbF3InXx
Name nan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 152.120115134 u
Formula C10H16O
InChI InChI=1S/C7H10.C3H6O/c1-2-7-4-3-6(1)5-7;1-3-2-4-3/h1-2,6-7H,3-5H2;3H,2H2,1H3/t6-,7+;
InChIKey JHSFOXBGJLMKBW-UKMDXRBESA-N
Molecular Weight 152.237 g/mol
Nominal Mass 152 u
SMILES C1C(C)O1.C=1[C@@]2(CC[C@](C1)(C2)[H])[H]