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3,7,7-Triimethylbicyclo[4.1.0]hept-2-en-2-yl benzoate
SpectraBase Compound ID gj0x4y6FaY
InChI InChI=1S/C17H20O2/c1-11-9-10-13-14(17(13,2)3)15(11)19-16(18)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKey QNRSORIFIYHLCD-ZIAGYGMSSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID h3KlYlcXYW
Name 3,7,7-Triimethylbicyclo[4.1.0]hept-2-en-2-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-11-9-10-13-14(17(13,2)3)15(11)19-16(18)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKey QNRSORIFIYHLCD-ZIAGYGMSSA-N
Molecular Weight 256.345 g/mol
SMILES [C@@]12(C(C)(C)[C@@]2(CCC(=C1OC(=O)c1ccccc1)C)[H])[H]
SPLASH splash10-0a4i-5930000000-83eda6bf84c38ae3317c
Source of Spectrum KC-61-4798-11
Wiley ID 1629154