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(2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one
SpectraBase Compound ID EJb0L6SvVLx
InChI InChI=1S/C17H22O2/c1-11(2)17-9-12(3)15-7-5-4-6-13(15)8-14(10-17)16(18)19-17/h4-7,11-12,14H,8-10H2,1-3H3/t12-,14+,17-/m0/s1
InChIKey NOYKTASJYYQOFR-QEORTHHSSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsQkFO30kaw
Name (2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one
Appearance Colourless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-11(2)17-9-12(3)15-7-5-4-6-13(15)8-14(10-17)16(18)19-17/h4-7,11-12,14H,8-10H2,1-3H3/t12-,14+,17-/m0/s1
InChIKey NOYKTASJYYQOFR-QEORTHHSSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 258.361 g/mol
SMILES c12ccccc2C[C@]2(C(O[C@@](C(C)C)(C[C@@]1(C)[H])C2)=O)[H]
SPLASH splash10-00r7-7950000000-8922bd64f14b7ae7cc9b
Source of Spectrum BJO-6-1239-13
Wiley ID 1871696