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2H-Cyclohepta[b]furan-2,8(3H)-dione, hexahydro-, trans-
SpectraBase Compound ID 2N9B8Zeq5Wh
InChI InChI=1S/C9H12O3/c10-7-4-2-1-3-6-5-8(11)12-9(6)7/h6,9H,1-5H2/t6-,9+/m1/s1
InChIKey JVTADUYWSPGRCZ-MUWHJKNJSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZleYWchpFM
Name 2H-Cyclohepta[b]furan-2,8(3H)-dione, hexahydro-, trans-
CAS Registry Number 107115-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-7-4-2-1-3-6-5-8(11)12-9(6)7/h6,9H,1-5H2/t6-,9+/m1/s1
InChIKey JVTADUYWSPGRCZ-MUWHJKNJSA-N
Molecular Weight 168.192 g/mol
SMILES [C@]12(OC(C[C@]2(CCCCC1=O)[H])=O)[H]
SPLASH splash10-05ne-9200000000-2c0fda76b729908a7688
Source of Spectrum J-52-1435-5
Synonyms (3a.alpha.,8a.alpha.)-octahydro-2H-cyclohepta[b]furan-2,8-dione (3aR,8aS)-hexahydro-2H-cyclohepta[b]furan-2,8(3H)-dione 2H-cyclohepta[b]furan-2,8-dione, octahydro-, (3a.alpha.,8a.beta.)-
Wiley ID 1164370