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(2S,6R,8S)-8-((Hydroxy)methyl)-2-(1-(methyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 3Rlc9yivYtm
InChI InChI=1S/C13H22O4/c1-9(2)12-6-10(15)7-13(17-12)5-3-4-11(8-14)16-13/h9,11-12,14H,3-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey LXVSXDQQHYAUEC-AVGNSLFASA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ry5RXUhmTp
Name (2S,6R,8S)-8-((Hydroxy)methyl)-2-(1-(methyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-9(2)12-6-10(15)7-13(17-12)5-3-4-11(8-14)16-13/h9,11-12,14H,3-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey LXVSXDQQHYAUEC-AVGNSLFASA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 242.315 g/mol
SMILES OC[C@]1(O[C@@]2(CC(C[C@](O2)(C(C)C)[H])=O)CCC1)[H]
SPLASH splash10-01ot-6930000000-c51ffaaa69e2d7686b81
Source of Spectrum ASC-350-1736/SM42-42_1
Synonyms (2S,6R,8S)-8-(hydroxymethyl)-2-isopropyl-1,7-dioxaspiro[5.5]undecan-4-one
Wiley ID 1768045