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(S)-N-(5,6,7.9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yI)acetamide
SpectraBase Compound ID JAOGrUonUbT
InChI InChI=1S/C21H23NO5/c1-12(23)22-17-9-8-13-10-18(25-2)20(26-3)21(27-4)19(13)15-7-5-6-14(24)11-16(15)17/h5-7,10-11,17H,8-9H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKey NXPCQFIROMOQEV-KRWDZBQOSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJeMdggk5qW
Name (S)-N-(5,6,7.9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yI)acetamide
CAS Registry Number 518-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-12(23)22-17-9-8-13-10-18(25-2)20(26-3)21(27-4)19(13)15-7-5-6-14(24)11-16(15)17/h5-7,10-11,17H,8-9H2,1-4H3,(H,22,23)/t17-/m0/s1
InChIKey NXPCQFIROMOQEV-KRWDZBQOSA-N
Molecular Weight 369.417 g/mol
SMILES N([C@@]1(C=2C(c3c(c(OC)c(cc3CC1)OC)OC)=CC=CC(C2)=O)[H])C(=O)C
SPLASH splash10-014i-0494000000-50bc56254ca3c077d53c
Source of Spectrum H-68-2176-10
Synonyms N-[1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide N-(1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide N-[1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide N-[9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Wiley ID 1353724