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bicyclo[4.1.0]heptan-2-one (2S)-1,2-propanediol ketals
SpectraBase Compound ID IVRxZPtnRwO
InChI InChI=1S/C10H16O2/c1-3-8-7-9(8)10(4-1)11-5-2-6-12-10/h8-9H,1-7H2
InChIKey VQZKNUWHTSVMHU-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8ON3hibUI9
Name bicyclo[4.1.0]heptan-2-one (2S)-1,2-propanediol ketals
Alternate Name(s) Spiro[bicyclo[4.1.0]heptane-2,2'-[1,3]dioxane]
CAS Registry Number 125250-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-3-8-7-9(8)10(4-1)11-5-2-6-12-10/h8-9H,1-7H2
InChIKey VQZKNUWHTSVMHU-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C12CC2CCCC11OCCCO1
SPLASH splash10-02u0-9500000000-4d385441055afa700ec8
Source of Spectrum J-55-2052-39
Wiley ID 1164871