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Verbenone
SpectraBase Compound ID 1RX4wRROtu2
InChI InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChIKey DCSCXTJOXBUFGB-UHFFFAOYSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EOznA0Lc03
Name 2-Pinen-4-one
CAS Registry Number 80-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O
InChI InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChIKey DCSCXTJOXBUFGB-UHFFFAOYSA-N
Molecular Weight 150.221 g/mol
SMILES C1(=CC(C2C(C1C2)(C)C)=O)C
SPLASH splash10-054x-9500000000-a84c6c2eaada67725ccf
Source of Spectrum AA-0-893-2
Synonyms (+)-Verbenone 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one (-)-Verbenone (1R)-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-one (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-ene-2-one Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl- (R)-(+)-Verbenone 2,6,6-trimethyl-4-bicyclo[3.1.1]hept-2-enone 2-Pinen-4-one, (1S,5S)-(-)- 2-Pinen-4-one, (1R,5R)-(+)- 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one 4,6,6-Trimethyl-(1R)-bicyclohept-3-en-2-one Berbenone Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)- Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)- Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)- Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)- Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)- D-Verbenone l-Verbenone PIN-2-EN-4-ONE Verbenone, (+)- Verbenone, (L)- Verbinone AI3-23082 AI3-23127 AI3-23128 BRN 2042766 EINECS 201-292-4 EINECS 214-807-2 EINECS 242-195-7 EPA PESTICIDE CHEMICAL CODE 128986 NSC 36846 NSC 6831
Wiley ID 1147554