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trans-hexahydro-5H-cyclohepta-1,4-dioxin-2(3H)-one
SpectraBase Compound ID 1MLS12wLFJx
InChI InChI=1S/C9H14O3/c10-9-6-11-7-4-2-1-3-5-8(7)12-9/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKey PUDJLJHVNQJRCY-HTQZYQBOSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU2WzkDRHAC
Name trans-hexahydro-5H-cyclohepta-1,4-dioxin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-9-6-11-7-4-2-1-3-5-8(7)12-9/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKey PUDJLJHVNQJRCY-HTQZYQBOSA-N
Molecular Weight 170.208 g/mol
SMILES C1(O[C@]2([C@](OC1)(CCCCC2)[H])[H])=O
SPLASH splash10-015c-9000000000-35cf2745deb1ec9b18bd
Source of Spectrum PR-35-0-0
Synonyms (4aR,9aR)-hexahydro-4aH-cyclohepta[b][1,4]dioxin-2(3H)-one
Wiley ID 1166631