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(4aR,5S,6S,7aS)-2,2,5-trimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-6-carboxylic acid methyl ester
SpectraBase Compound ID Fi4SVAkBoaB
InChI InChI=1S/C12H20O4/c1-7-8(11(13)14-4)5-10-9(7)6-15-12(2,3)16-10/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10+/m1/s1
InChIKey YWEQTCCOOVFHDC-KATARQTJSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UA3c3h2B1v
Name (4aR,5S,6S,7aS)-2,2,5-trimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-6-carboxylic acid methyl ester
Alternate Name(s) Methyl (4aR,5S,6S,7aS)-2,2,5-trimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-7-8(11(13)14-4)5-10-9(7)6-15-12(2,3)16-10/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10+/m1/s1
InChIKey YWEQTCCOOVFHDC-KATARQTJSA-N
Molecular Weight 228.288 g/mol
SMILES [C@@]12([C@]([C@](C)([C@](C2)(C(=O)OC)[H])[H])(COC(O1)(C)C)[H])[H]
SPLASH splash10-01ox-6930000000-aac07725559312f85031
Source of Spectrum C-117-5761-8
Wiley ID 759096