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2,4-Benzofurandione, 6-[(acetyloxy)methyl]-3,3a,7,7a-tetrahydro-, cis-(.+-.)-
SpectraBase Compound ID 4qLuKHCOXxt
InChI InChI=1S/C11H12O5/c1-6(12)15-5-7-2-9(13)8-4-11(14)16-10(8)3-7/h2,8,10H,3-5H2,1H3/t8-,10+/m1/s1
InChIKey SZSWVXWHICFMIC-SCZZXKLOSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGamHQKYklv
Name 2,4-Benzofurandione, 6-[(acetyloxy)methyl]-3,3a,7,7a-tetrahydro-, cis-(.+-.)-
Alternate Name(s) cis-6-acetoxymethyl3,3a,7,7a-tetrahydrobenzo[b]furan-2,4-dione [(3aS,7aS)-2,4-dioxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-yl]methyl acetate
CAS Registry Number 100362-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-6(12)15-5-7-2-9(13)8-4-11(14)16-10(8)3-7/h2,8,10H,3-5H2,1H3/t8-,10+/m1/s1
InChIKey SZSWVXWHICFMIC-SCZZXKLOSA-N
Molecular Weight 224.212 g/mol
SMILES [C@@]12([C@@](OC(C2)=O)(CC(=CC1=O)COC(=O)C)[H])[H]
SPLASH splash10-0006-9300000000-c093be5e9d1978b88b2c
Source of Spectrum KC-1985-1515-30
Wiley ID 1224716