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3,7,7-Triimethylbicyclo[4.1.0]hept-2-en-2-yl 4-nitrobenzoate
SpectraBase Compound ID KtLCLOfnDJK
InChI InChI=1S/C17H19NO4/c1-10-4-9-13-14(17(13,2)3)15(10)22-16(19)11-5-7-12(8-6-11)18(20)21/h5-8,13-14H,4,9H2,1-3H3/t13-,14-/m1/s1
InChIKey ZYNWEBYJNDPCFH-ZIAGYGMSSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AC9qJXmcnbO
Name 3,7,7-Triimethylbicyclo[4.1.0]hept-2-en-2-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-10-4-9-13-14(17(13,2)3)15(10)22-16(19)11-5-7-12(8-6-11)18(20)21/h5-8,13-14H,4,9H2,1-3H3/t13-,14-/m1/s1
InChIKey ZYNWEBYJNDPCFH-ZIAGYGMSSA-N
Molecular Weight 301.342 g/mol
SMILES [C@@]12(C(C)(C)[C@@]2(CCC(=C1OC(c1ccc(N(=O)=O)cc1)=O)C)[H])[H]
SPLASH splash10-0udi-2903000000-7184f7f16ec5de611e69
Source of Spectrum KC-61-4798-13
Wiley ID 1629150