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trans-3-(3,4-Methylenedioxybenzyl)-4-(3-furoyl).gamma.-butyrolactone
SpectraBase Compound ID Ehh7pai8Dvz
InChI InChI=1S/C17H14O6/c18-15-7-12(17(23-15)16(19)11-3-4-20-8-11)5-10-1-2-13-14(6-10)22-9-21-13/h1-4,6,8,12,17H,5,7,9H2/t12-,17-/m0/s1
InChIKey PVRMASPPBQVSOV-SJCJKPOMSA-N
Mol Weight 314.29 g/mol
Molecular Formula C17H14O6
Exact Mass 314.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IES6eF0ECcC
Name trans-3-(3,4-Methylenedioxybenzyl)-4-(3-furoyl).gamma.-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O6
InChI InChI=1S/C17H14O6/c18-15-7-12(17(23-15)16(19)11-3-4-20-8-11)5-10-1-2-13-14(6-10)22-9-21-13/h1-4,6,8,12,17H,5,7,9H2/t12-,17-/m0/s1
InChIKey PVRMASPPBQVSOV-SJCJKPOMSA-N
Molecular Weight 314.293 g/mol
SMILES [C@@]1(C(c2cocc2)=O)(OC(=O)C[C@@]1(Cc1cc2OCOc2cc1)[H])[H]
SPLASH splash10-000l-0902000000-6c5fbe113e499b253ec9
Source of Spectrum PS-0-2751-8
Synonyms (4S,5S)-4-(1,3-benzodioxol-5-ylmethyl)-5-(3-furoyl)dihydro-2(3H)-furanone
Wiley ID 786842