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4-Isopropyl-4,5-methylenecyclopent-1-en-1-yl p-Nitrobenzoate
SpectraBase Compound ID 8b4c3IvjjrI
InChI InChI=1S/C16H17NO4/c1-10(2)16-8-7-14(13(16)9-16)21-15(18)11-3-5-12(6-4-11)17(19)20/h3-7,10,13H,8-9H2,1-2H3/t13-,16-/m0/s1
InChIKey DITONQMOPQMOAC-BBRMVZONSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FZ7sZ45H9H
Name 4-Isopropyl-4,5-methylenecyclopent-1-en-1-yl p-Nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-10(2)16-8-7-14(13(16)9-16)21-15(18)11-3-5-12(6-4-11)17(19)20/h3-7,10,13H,8-9H2,1-2H3/t13-,16-/m0/s1
InChIKey DITONQMOPQMOAC-BBRMVZONSA-N
Molecular Weight 287.315 g/mol
SMILES [C@@]12([C@](C(OC(c3ccc(N(=O)=O)cc3)=O)=CC1)(C2)[H])C(C)C
SPLASH splash10-0udi-0910000000-c720d25398cccb847059
Source of Spectrum QE-14-9188-27
Synonyms 4-Nitro-benzoic acid (1R,5S)-5-isopropyl-bicyclo[3.1.0]hex-2-en-2-yl ester
Wiley ID 1692432