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Tricyclo[3.3.1.1(3,7)]decanone, 1-(nitrophenyl)-
SpectraBase Compound ID IVnTbpK8jfY
InChI InChI=1S/C16H17NO3/c18-15-12-6-10-5-11(7-12)9-16(15,8-10)13-3-1-2-4-14(13)17(19)20/h1-4,10-12H,5-9H2
InChIKey BPMULMSUIHSJDQ-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbYE5dfUkq6
Name Tricyclo[3.3.1.1(3,7)]decanone, 1-(nitrophenyl)-
CAS Registry Number 40621-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-15-12-6-10-5-11(7-12)9-16(15,8-10)13-3-1-2-4-14(13)17(19)20/h1-4,10-12H,5-9H2
InChIKey BPMULMSUIHSJDQ-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES C12(C(C3CC(C2)CC(C1)C3)=O)c1c([N+]([O-])=O)cccc1
SPLASH splash10-00gi-7940000000-c1b54632a9490f470a46
Source of Spectrum K-106-89-16
Synonyms 1-(x-nitrophenyl)2-adamantanone
Wiley ID 1275321