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(E)-Isoelemicin
SpectraBase Compound ID 3BH7HLlnMCH
InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
InChIKey RRXOQHQFJOQLQR-AATRIKPKSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WHJ4FrJYvK
Name Benzene, 1,2,3-trimethoxy-5-(1-propenyl)-, (E)-
CAS Registry Number 5273-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
InChIKey RRXOQHQFJOQLQR-AATRIKPKSA-N
Molecular Weight 208.257 g/mol
SMILES c1(c(cc(cc1OC)\C=C\C)OC)OC
SPLASH splash10-0a6u-6930000000-46c8678435ad526a3181
Source of Spectrum T-68-2543-0
Synonyms 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene Benzene, 1,2,3-trimethoxy-5-propenyl-, (E)- Isoelemicin AI3-36724
Wiley ID 1206786