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(2R,4aR,9aS)-2-methyl-6,9a-dihydro-4H-[1,3]dioxino[5,4-b]oxepin-7(4aH)-one
SpectraBase Compound ID HcvfS31tp9X
InChI InChI=1S/C9H12O4/c1-6-11-5-9-8(13-6)3-2-7(10)4-12-9/h2-3,6,8-9H,4-5H2,1H3/t6-,8+,9-/m1/s1
InChIKey BHGFBGQHBKBXRC-BWVDBABLSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KS1rc9YO6h
Name (2R,4aR,9aS)-2-methyl-6,9a-dihydro-4H-[1,3]dioxino[5,4-b]oxepin-7(4aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-6-11-5-9-8(13-6)3-2-7(10)4-12-9/h2-3,6,8-9H,4-5H2,1H3/t6-,8+,9-/m1/s1
InChIKey BHGFBGQHBKBXRC-BWVDBABLSA-N
Literature Reference DOI 10.1021/ol0630651
Molecular Weight 184.191 g/mol
SMILES [C@@]1([H])(C)O[C@@]2([C@](OCC(C=C2)=O)(CO1)[H])[H]
SPLASH splash10-0a4r-9500000000-73eb2421cb12495f4dbc
Source of Spectrum A1-9-1033/SM1-6
Wiley ID 1757903