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3-Furanacetic acid, tetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, cis-
SpectraBase Compound ID BCZ6om7gEH2
InChI InChI=1S/C10H16O4/c1-6-7(5-8(11)13-4)9(12)14-10(6,2)3/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKey KMFDHKPCXVSYFP-NKWVEPMBSA-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 87EIOgRq35g
Name 3-Furanacetic acid, tetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, cis-
CAS Registry Number 77613-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-6-7(5-8(11)13-4)9(12)14-10(6,2)3/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKey KMFDHKPCXVSYFP-NKWVEPMBSA-N
Molecular Weight 200.234 g/mol
SMILES C1(OC(C)(C)[C@]([C@]1(CC(=O)OC)[H])(C)[H])=O
SPLASH splash10-03di-0900000000-df826d6018951c5172aa
Source of Spectrum I-59-299-0
Synonyms 3-(methoxycarbonylmethyl)-4,5,5-trimethyltetrahydrofuran-2-one (isomer b) Methyl[(3R,4S)-4,5,5-trimethyl-2-oxotetrahydro-3-furanyl]acetate
Wiley ID 1197399