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4,6,7-Trimethyl-3H-cyclopenteno[d]benzo[b]furan-5-yl p-nitrobenzoate
SpectraBase Compound ID Ix1zvh1cxay
InChI InChI=1S/C21H19NO5/c1-11-12(2)20-18(16-5-4-6-17(16)26-20)13(3)19(11)27-21(23)14-7-9-15(10-8-14)22(24)25/h4,6-10,16-17H,5H2,1-3H3/t16-,17+/m1/s1
InChIKey ZIGLOHXNQWXPKV-SJORKVTESA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzAycNeFSgv
Name 4,6,7-Trimethyl-3H-cyclopenteno[d]benzo[b]furan-5-yl p-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-11-12(2)20-18(16-5-4-6-17(16)26-20)13(3)19(11)27-21(23)14-7-9-15(10-8-14)22(24)25/h4,6-10,16-17H,5H2,1-3H3/t16-,17+/m1/s1
InChIKey ZIGLOHXNQWXPKV-SJORKVTESA-N
Molecular Weight 365.385 g/mol
SMILES c12c(c(C)c(c(c2C)C)OC(c2ccc(N(=O)=O)cc2)=O)[C@@]2(CC=C[C@@]2(O1)[H])[H]
SPLASH splash10-014i-0292000000-b06f045207be86c0c190
Source of Spectrum SO-0-913-5
Wiley ID 874776