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N-Cyclopropylmethyl-2-fluoro-4,5-methylenedioxyamphetamine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-Cyclopropylmethyl-2-fluoro-4,5-methylenedioxyamphetamine
SpectraBase Compound ID 3pTAl9N2UDF
InChI InChI=1S/C14H18FNO2/c1-9(16-7-10-2-3-10)4-11-5-13-14(6-12(11)15)18-8-17-13/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKey XCZASOJZMTXNFQ-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C14H18FNO2
Exact Mass 251.132157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GynSePemsO6
Name N-Cyclopropylmethyl-2-fluoro-4,5-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.132156985 u
Formula C14H18FNO2
InChI InChI=1S/C14H18FNO2/c1-9(16-7-10-2-3-10)4-11-5-13-14(6-12(11)15)18-8-17-13/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKey XCZASOJZMTXNFQ-UHFFFAOYSA-N
Molecular Weight 251.301 g/mol
SMILES C1(=C(C=C2C(=C1)OCO2)F)CC(NCC1CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893733