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Trans-5-isopropoxy-6-methyl-1,4-dioxepane
SpectraBase Compound ID I8s4N8EMwkv
InChI InChI=1S/C9H18O3/c1-7(2)12-9-8(3)6-10-4-5-11-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey XVXRLPLTPLIQLQ-DTWKUNHWSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9z8VhGNjMn
Name trans-5-Isopropoxy-6-methyl-1,4-dioxepane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-7(2)12-9-8(3)6-10-4-5-11-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey XVXRLPLTPLIQLQ-DTWKUNHWSA-N
Molecular Weight 174.240 g/mol
SMILES [C@@]1([C@](COCCO1)(C)[H])(OC(C)C)[H]
SPLASH splash10-006x-9000000000-0d9c46bf82232f4806b3
Source of Spectrum F-52-8921-1
Synonyms (5R,6S)-5-isopropoxy-6-methyl-1,4-dioxepane isopropyl (5R,6S)-6-methyl-1,4-dioxepan-5-yl ether
Wiley ID 797393