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4-(1-Adamantyl)-5-(2-furyl)-3-trifluoromethyl-1H-pyrazole
SpectraBase Compound ID GzmCwM61DXZ
InChI InChI=1S/C18H19F3N2O/c19-18(20,21)16-14(15(22-23-16)13-2-1-3-24-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,22,23)/t10-,11+,12-,17-
InChIKey RVKVXFVRVVVPNP-KVMGNAQRSA-N
Mol Weight 336.36 g/mol
Molecular Formula C18H19F3N2O
Exact Mass 336.144948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIWyOb5xiDC
Name 4-(1-Adamantyl)-5-(2-furyl)-3-trifluoromethyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F3N2O
InChI InChI=1S/C18H19F3N2O/c19-18(20,21)16-14(15(22-23-16)13-2-1-3-24-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,22,23)/t10-,11+,12-,17-
InChIKey RVKVXFVRVVVPNP-KVMGNAQRSA-N
Molecular Weight 336.358 g/mol
SMILES [nH]1nc(c(c1-c1occc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(F)(F)F
SPLASH splash10-000i-3109000000-a34ad3936133927165d5
Source of Spectrum O1-46-1179-2e
Wiley ID 1669388