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MENTHOL, 1'-(BUTIN-3-ON-1-YL)-, (1S,2S,5R)-
SpectraBase Compound ID ENGAOZ48m2q
InChI InChI=1S/C7H14O.C4H4O.C3H8/c1-6-3-2-4-7(8)5-6;1-3-4(2)5;1-3-2/h6-8H,2-5H2,1H3;1H,2H3;3H2,1-2H3
InChIKey KHYYNRYJQPDQNS-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qGNHFCQbWE
Name MENTHOL, 1'-(BUTIN-3-ON-1-YL)-, (1S,2S,5R)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C7H14O.C4H4O.C3H8/c1-6-3-2-4-7(8)5-6;1-3-4(2)5;1-3-2/h6-8H,2-5H2,1H3;1H,2H3;3H2,1-2H3
InChIKey KHYYNRYJQPDQNS-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 226.1926
SMILES C#CC(C)=O.OC1CC(CCC1)C.CCC
SPLASH splash10-0006-9400000000-25bc7583b96e3503ed2b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany