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2-(Cyanomethyl)phenyl 4-methoxybenzoate
SpectraBase Compound ID IpwzgGiw1u5
InChI InChI=1S/C16H13NO3/c1-19-14-8-6-13(7-9-14)16(18)20-15-5-3-2-4-12(15)10-11-17/h2-9H,10H2,1H3
InChIKey RCLMPTCPOBJWKP-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 631aaTj7s5C
Name 2-(Cyanomethyl)phenyl 4-methoxybenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-19-14-8-6-13(7-9-14)16(18)20-15-5-3-2-4-12(15)10-11-17/h2-9H,10H2,1H3
InChIKey RCLMPTCPOBJWKP-UHFFFAOYSA-N
Molecular Weight 267.284 g/mol
SMILES C(Oc1c(CC#N)cccc1)(c1ccc(cc1)OC)=O
SPLASH splash10-000i-0900000000-7b2261133ac75184ea3c
Source of Spectrum F-68-3945-14
Wiley ID 1708580