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(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,7a-hexahydroindene]-1'-one
SpectraBase Compound ID L1tWXOkhBoT
InChI InChI=1S/C12H18O3/c1-11-3-2-10(13)9(11)8-12(5-4-11)14-6-7-15-12/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKey DHLGGLQBFLGLQV-GXSJLCMTSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oOrQCVRWC
Name (3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,7a-hexahydroindene]-1'-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-11-3-2-10(13)9(11)8-12(5-4-11)14-6-7-15-12/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKey DHLGGLQBFLGLQV-GXSJLCMTSA-N
Instrument Name Bruker MicroTOF QII or Waters Xevo G2-XS or Waters GCT or Waters LCT
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202202429
Molecular Weight 210.273 g/mol
Optical Rotation [a]D25 = -85 (c = 0.5, CH2Cl2)
Quality 250
SMILES C1(CC[C@]2([C@]1(CC1(CC2)OCCO1)[H])C)=O
SPLASH splash10-00kt-9100000000-d17e5d3ec90abbbe0f54
Source of Spectrum QE-28-SM14-6 (DOI: 10.1002/chem.202202429)
Thin-Layer Chromatography 0.50 (50% EtOAc/petroleum ether)
Wiley ID 1900783