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(1S,6S,9R)-9-Methyl-7,10,11,12-tetraoxa-tricyclo[7.2.2.0(1,6)]tridecane
SpectraBase Compound ID CtFU3nmtqw1
InChI InChI=1S/C10H16O4/c1-9-6-11-8-4-2-3-5-10(8,12-7-9)14-13-9/h8H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKey QYTKOJQIVYPVCC-AEJSXWLSSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7At7J8dk5Mg
Name (1S,6S,9R)-9-Methyl-7,10,11,12-tetraoxa-tricyclo[7.2.2.0(1,6)]tridecane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-9-6-11-8-4-2-3-5-10(8,12-7-9)14-13-9/h8H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKey QYTKOJQIVYPVCC-AEJSXWLSSA-N
Literature Reference DOI 10.1002/asia.201200166
Molecular Weight 200.234 g/mol
SMILES [C@]123OC[C@](CO[C@]3(CCCC1)[H])(C)OO2
SPLASH splash10-066u-9000000000-d4b7a6e174709f28bebc
Source of Spectrum CAJ-7-1881/SM8-12j
Synonyms (3R,5aS,9aS)-3-methyloctahydro-3,5a-epidioxybenzo[b][1,4]dioxepine
Wiley ID 1773257