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(5S,6S)-6-Methyl-1,7-dioxaspiro[4,5]dec-9-en-2-one
SpectraBase Compound ID 5qdQKIKTND4
InChI InChI=1S/C9H12O3/c1-7-9(4-2-6-11-7)5-3-8(10)12-9/h2,4,7H,3,5-6H2,1H3/t7-,9+/m0/s1
InChIKey SBIBNWBMWNGLKU-IONNQARKSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBttgsGkEZd
Name (5S,6S)-6-Methyl-1,7-dioxaspiro[4,5]dec-9-en-2-one
Alternate Name(s) (5S,10S)-10-methyl-4,9-dioxaspiro[4.5]dec-6-en-3-one (5S,6S)-6-methyl-1,7-dioxaspiro[4.5]dec-9-en-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-7-9(4-2-6-11-7)5-3-8(10)12-9/h2,4,7H,3,5-6H2,1H3/t7-,9+/m0/s1
InChIKey SBIBNWBMWNGLKU-IONNQARKSA-N
Molecular Weight 168.192 g/mol
SMILES [C@@]12(OC(=O)CC2)C=CCO[C@]1(C)[H]
SPLASH splash10-014i-0900000000-46ed457beed2cc472c74
Source of Spectrum J-66-7664-15
Wiley ID 1568584