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3-Acetyl-6,7-(methylenedioxy)-6,7-dihydro-Atholactone
SpectraBase Compound ID 1V9S3NmKwx3
InChI InChI=1S/C16H16O7/c1-8(17)21-12-10(9-5-3-2-4-6-9)22-13-11-15(20-7-19-11)16(18)23-14(12)13/h2-6,10-15H,7H2,1H3/t10-,11+,12-,13?,14+,15+/m1/s1
InChIKey KXHPETZDYCRUDV-OQFGHLLHSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XCHSdsXxAK
Name 3-Acetyl-6,7-(methylenedioxy)-6,7-dihydro-Atholactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-8(17)21-12-10(9-5-3-2-4-6-9)22-13-11-15(20-7-19-11)16(18)23-14(12)13/h2-6,10-15H,7H2,1H3/t10-,11+,12-,13?,14+,15+/m1/s1
InChIKey KXHPETZDYCRUDV-OQFGHLLHSA-N
Molecular Weight 320.297 g/mol
SMILES [C@]12(C([C@@]3(OCO[C@@]3(C(O2)=O)[H])[H])O[C@@]([C@]1(OC(=O)C)[H])(c1ccccc1)[H])[H]
SPLASH splash10-001j-0910000000-bf38575e53e57957c5e6
Source of Spectrum G4-62-1108-7
Wiley ID 1607941