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3a-(phenylmethyl)-5H-acenaphthylene

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3a-(phenylmethyl)-5H-acenaphthylene
SpectraBase Compound ID DuNO4DTRkML
InChI InChI=1S/C19H16/c1-2-6-15(7-3-1)14-19-12-5-10-16-8-4-9-17(11-13-19)18(16)19/h1-9,11-13H,10,14H2
InChIKey IUCGKTSJECVCAG-UHFFFAOYSA-N
Mol Weight 244.34 g/mol
Molecular Formula C19H16
Exact Mass 244.125201 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KSHN7JNgfHV
Name 3A-(Phenylmethyl)-5H-acenaphthylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.125200515 u
Formula C19H16
InChI InChI=1S/C19H16/c1-2-6-15(7-3-1)14-19-12-5-10-16-8-4-9-17(11-13-19)18(16)19/h1-9,11-13H,10,14H2
InChIKey IUCGKTSJECVCAG-UHFFFAOYSA-N
Molecular Weight 244.337 g/mol
SMILES C12(C=CC=3C2=C(C=CC3)CC=C1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902722